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| CAS Number | 58-14-0 |
| Catalog Number | AG00IKHO(AGN-PC-07A264) |
| Chemical Name | 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl- |
| EC Number | 200-364-2 |
| IUPAC Name | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
| InChI | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
| InChI Key | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| MDL Number | MFCD00057350 |
| Molecular Formula | C12H13ClN4 |
| Molecular Weight | 248.7114 |
| SMILES | NC1=NC(CC)=C(C2=CC=C(Cl)C=C2)C(N)=N1 |
| UN Number | 2811 |
| UNII | Z3614QOX8W |
| Synonyms | Chloridin,
Daraprim,
Malocide,
Pyrimethamine,
Tindurine,
pyrimethamine,
58-14-0,
Daraprim,
Chloridine,
Diaminopyritamin,
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine,
Ethylpyrimidine,
Pirimetamin,
Chloridin,
Pirimetamina,
Chloridyn,
Pirimecidan,
Malocide,
Primethamine,
Pyrimethamin,
Darachlor,
Erbaprelina,
Khloridin,
Tindurin,
Malocid,
Darapram,
Daraprime,
Malacid,
Maloprim,
5-(4-CHLOROPHENYL)-6-ETHYL-2,4-PYRIMIDINEDIAMINE,
Pyremethamine,
Pyrimethaminum,
Daraclor,
2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-,
Tinduring,
RP 4753,
2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine,
Pirimetamina [Spanish],
BW 50-63,
2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine,
TCMDC-125860,
NCI-C01683,
Pirimetamina [INN-Spanish],
Pyrimethaminum [INN-Latin],
2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine,
5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine,
WR 2978,
UNII-Z3614QOX8W,
C12H13ClN4,
CCRIS 546,
GNF-Pf-5586,
5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine,
4753 R.P.,
TCMDC-123831,
NSC 3061,
CHEMBL36,
EINECS 200-364-2,
BRN 0219864,
2,4-Pyrimidinediamine, 5-(p-chlorophenyl)-6-ethyl-,
AI3-25005,
MLS000028606,
MLS002701881,
CHEBI:8673,
Z3614QOX8W,
5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE,
NSC3061,
WKSAUQYGYAYLPV-UHFFFAOYSA-N,
NSC-3061,
5-[4-Chlorophenyl]-6-ethyl-2,4-pyrimidinediamine,
5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine,
Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-,
Pyrimethamine, 98%,
CAS-58-14-0,
NCGC00016256-08,
AK-35735,
CPD000058714,
SMR000058714,
Tindurine,
DSSTox_CID_1217,
DSSTox_RID_76016,
DSSTox_GSID_21217,
CP6,
Q-201648,
BRD9204,
Daraprin,
BRD-9204,
m alocid,
Pyrimethamine Hcl,
Daraprim (TN),
Pyrimethamine (Pyr),
SR-01000003150,
Pyrimethamine [USAN:INN:BAN:JAN],
CRL-8131 & Pyrimethamine,
CRL-8142 & Pyrimethamine,
Lactoferrin B & Pyrimethamine,
Lactoferrin H & Pyrimethamine,
Pyrimethamine (JAN/USP/INN),
AZT + Pyrimethamine combination,
HSDB 8042,
EXR-101,
Pyrimethamine [USP:INN:BAN:JAN],
Prestwick_504,
Fansidar (Pyrimethamine/Sulfadoxine),
MFCD00057350,
PubChem9611,
BW 5063,
Daraclor (Salt/Mix),
Spectrum_000906,
4km0,
Pyrimethamine (Daraprim),
AC1L1JDI,
Opera_ID_1437,
Prestwick0_000037,
Prestwick1_000037,
Prestwick2_000037,
Prestwick3_000037,
Spectrum2_000886,
Spectrum3_001701,
Spectrum4_000494,
Spectrum5_001447,
cid_4993,
NCIOpen2_008313,
BIDD:PXR0173,
SCHEMBL25129,
BSPBio_000133,
BSPBio_003282,
KBioGR_001007,
KBioSS_001386,
5-(4-chlorophenyl)-2,4-diamino-6-ethylpyrimidine,
5-(p-chlorophenyl)-6-ethyl-2,4-diaminopyrimidine,
MLS001148621,
MLS002454446,
BIDD:GT0149,
DivK1c_000652,
SPECTRUM1500520,
5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidi nediamine,
Daraprim;Malocide; Pirimecidan,
SPBio_000672,
SPBio_002054,
BPBio1_000147,
GTPL4800,
DTXSID9021217,
BDBM18512,
CTK8B4350,
HMS502A14,
KBio1_000652,
KBio2_001386,
KBio2_003954,
KBio2_006522,
KBio3_002502,
KS-00000JIP,
ZINC57464,
4753 r.p,
NINDS_000652,
HMS1568G15,
HMS1920N12,
HMS2092E13,
HMS2095G15,
HMS2235A17,
HMS3259C04,
HMS3371L07,
HMS3655D09,
HMS3675P11,
HMS3712G15,
Pharmakon1600-01500520,
2, 5-(p-chlorophenyl)-6-ethyl-,
2, 5-(4-chlorophenyl)-6-ethyl-,
Tox21_110332,
Tox21_201834,
Tox21_300129,
ANW-44788,
CCG-39626,
LS-238,
NSC757306,
AKOS015892534,
Tox21_110332_1,
AB02313,
AC-7879,
AN-8571,
API0003994,
CS-1717,
DB00205,
KS-5223,
LS40239,
NC00528,
NSC-757306,
IDI1_000652,
NCGC00016256-01,
NCGC00016256-02,
NCGC00016256-03,
NCGC00016256-04,
NCGC00016256-05,
NCGC00016256-06,
NCGC00016256-07,
NCGC00016256-09,
NCGC00016256-10,
NCGC00016256-11,
NCGC00016256-12,
NCGC00016256-13,
NCGC00016256-14,
NCGC00016256-16,
NCGC00016256-17,
NCGC00023188-03,
NCGC00023188-04,
NCGC00023188-05,
NCGC00023188-06,
NCGC00023188-07,
NCGC00254199-01,
NCGC00259383-01,
WLN: T6N CNJ BZ DZ ER DG& F2,
BC200953,
HY-18062,
NCI60_002604,
SAM002554921,
SC-05503,
SBI-0051500.P003,
AB0011152,
AB2000417,
AX8021591,
ST2406007,
TR-020233,
4CH-018330,
AB00052084,
FT-0631253,
P2037,
S2006,
SW196698-3,
C07391,
D00488,
M-1612,
MLS-0002822.0001,
AB00052084-21,
AB00052084_22,
AB00052084_25,
057P350,
A831755,
C-36508,
L000713,
Pyrimethamine, VETRANAL(TM), analytical standard,
Pyrimidine,4-diamino-5-(p-chlorophenyl)-6-ethyl-,
2,4,-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine,
2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidine,
2,4-diamino-6-ethyl-5-(4-chlorophenyl)pyrimidine,
SR-01000003150-2,
SR-01000003150-4,
BRD-K88429204-001-05-4,
BRD-K88429204-001-18-7,
BRD-K88429204-001-21-1,
BRD-K88429204-001-36-9,
Z2065727768,
2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine, 97%,
Pyrimethamine, European Pharmacopoeia (EP) Reference Standard,
Pyrimethamine, United States Pharmacopeia (USP) Reference Standard,
Fansidar,
Disulone,
pyrimethamin-,
Mixture Name,
Fansidar (Salt/Mix),
D0C0SK,
Aventis Brand of Pyrimethamine,
Wellcome Brand of Pyrimethamine,
C12-H13-Cl-N4,
CID4993,
Pyrimethamine, 98% - 1G 1g,
DRG-0027,
NA2811,
Pyrimethamine [USAN:BAN:INN:JAN],
UN2811,
Glaxo Wellcome Brand of Pyrimethamine,
GlaxoSmithKline Brand of Pyrimethamine,
ACN-048726,
CS-O-11727,
A4353,
5-25-12-00255 (Beilstein Handbook Reference),
CD,
D011739,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.714g/mol |
| Monoisotopic Mass | 248.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335-H350-H360 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

