AG00IBZM

6981-18-6 | 2,4-Pyrimidinediamine, 5-[(4,5-dimethoxy-2-methylphenyl)methyl]-

AG00IBZM

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CAS Number	6981-18-6
Catalog Number	AG00IBZM(AGN-PC-0JKH1T)
Chemical Name	2,4-Pyrimidinediamine, 5-[(4,5-dimethoxy-2-methylphenyl)methyl]-
EC Number	230-246-6
IUPAC Name	5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
InChI	InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
InChI Key	KEEYRKYKLYARHO-UHFFFAOYSA-N
MDL Number	MFCD00057747
Molecular Formula	C14H18N4O2
Molecular Weight	274.3183
NSC Number	95072
SMILES	NC1=NC=C(CC2=CC(OC)=C(OC)C=C2C)C(N)=N1
UNII	M3EFS94984
Synonyms	2,4-diamino-5-(6-methylveratryl)pyrimidine, ormetoprim, ORMETOPRIM, 6981-18-6, Ormethoprim, Ormetorprim, component of Rofenaid, 2,4-Diamino-5-(6-methylveratryl)pyrimidine, Ro 5-9754, UNII-M3EFS94984, 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine, NSC 95072, 2,4-Pyrimidinediamine, 5-[(4,5-dimethoxy-2-methylphenyl)methyl]-, M3EFS94984, NSC95072, 5-(4,5-diMethoxy-2-Methylbenzyl)-2,4-diaminopyrimidine, NCGC00167523-01, DSSTox_CID_26689, DSSTox_RID_81823, DSSTox_GSID_46689, W-104583, 2,4-Diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine, Ormetoprima, Ormetoprime, Ormetoprimum, 5-[(4,5-dimethoxy-2-methyl-phenyl)methyl]pyrimidine-2,4-diamine, 2,4-Pyrimidinediamine, 5-((4,5-dimethoxy-2-methylphenyl)methyl)-, SMR000466374, CAS-6981-18-6, Ormetoprim [USAN:INN], Ormetoprime [INN-French], Ormetoprimum [INN-Latin], Ormetoprima [INN-Spanish], EINECS 230-246-6, Ormetoprim (USAN/INN), AC1L2MB4, NCIOpen2_006334, SCHEMBL93810, ZINC562, MLS000759503, MLS001424067, CHEMBL494760, 2,4-Diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidin, DTXSID1046689, CHEBI:94553, CTK2F4023, KEEYRKYKLYARHO-UHFFFAOYSA-N, CV564, HMS2051K20, HMS3393K20, BCP06018, KS-000015JL, Tox21_112520, BDBM50413401, MFCD00057747, NSC-95072, Ro-59754, AKOS015917221, Tox21_112520_1, CCG-100900, CM11035, Diamino-5-(6-methylveratryl)pyrimidine, NC00150, NCGC00167523-02, NCGC00167523-03, AJ-07905, AK110407, CPD000466374, SAM001246728, ZB000122, AX8146302, SD-051044, AM20041036, FT-0630358, O0424, Pyrimidine,4-diamino-5-(6-methylveratryl)-, D05273, 2, 5-[(4,5-dimethoxy-2-methylphenyl)methyl]-, AB00639990-08, 981O186, A836658, S03-0222, 2,4-Diamino-5-92-methyl-4,5-dimethoxybenzyl)pyrimidine, 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-pyrimidinediamine, 5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine-2,4-diamine, Pyrimidine, 2,4-diamino-5-(6-methylveratryl)- (8CI), 2,4-diamino-5-(4,5-dimethoxy-2-methylbenzyl) pyrimidine, 5-(4,5-dimethoxy-2-methyl-benzyl)-pyrimidine-2,4-diamine, Rofenaid, Ormetoprim, 98% - 1G 1g, CID23418, C14-H18-N4-O2, Pyrimidine, 2,4-diamino-5-(6-methylveratryl)-,

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.143g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	274.324g/mol
Monoisotopic Mass	274.143g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	96.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number