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| CAS Number | 289-95-2 |
| Catalog Number | AG003U2V(AGN-PC-03V6JX) |
| Chemical Name | Pyrimidine |
| EC Number | 206-026-0 |
| IUPAC Name | pyrimidine |
| InChI | InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H |
| InChI Key | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
| MDL Number | MFCD00006059 |
| Molecular Formula | C4H4N2 |
| Molecular Weight | 80.0880 |
| NSC Number | 89305 |
| SMILES | N1=CN=CC=C1 |
| UNII | K8CXK5Q32L |
| Synonyms | pyrimidine,
PYRIMIDINE,
289-95-2,
1,3-Diazine,
Metadiazine,
m-Diazine,
Miazine,
1,3-Diazabenzene,
Pyrimidine base,
1,3-Diazin,
pyrimidin,
UNII-K8CXK5Q32L,
CHEBI:16898,
EINECS 206-026-0,
NSC 89305,
K8CXK5Q32L,
CZPWVGJYEJSRLH-UHFFFAOYSA-N,
NSC89305,
Pyrimidine, 99%,
MFCD00006059,
25247-63-6,
Pyrimidine, dimer,
Pyrimidine dimer,
PubChem13257,
ACMC-1CEUK,
AC1L1SOG,
Epitope ID:140100,
EC 206-026-0,
Pyrimidine, >=98.0%,
KSC202K7B,
CHEMBL15562,
DTXSID1051228,
CTK1A2570,
KS-00000VAG,
ZINC895216,
ANW-41456,
NSC-89305,
AKOS015892547,
LS20614,
RP03457,
RTR-036374,
TRA0034317,
AN-44133,
CJ-04460,
SC-09052,
ZB014996,
AB1007339,
LS-134506,
TR-036374,
FT-0631901,
P0662,
3432-EP0930075A1,
3432-EP2268621A1,
3432-EP2268622A1,
3432-EP2269975A2,
3432-EP2269978A2,
3432-EP2269985A2,
3432-EP2269990A1,
3432-EP2269991A2,
3432-EP2269997A2,
3432-EP2270003A1,
3432-EP2270006A1,
3432-EP2270008A1,
3432-EP2270010A1,
3432-EP2270113A1,
3432-EP2270505A1,
3432-EP2272517A1,
3432-EP2272537A2,
3432-EP2272813A2,
3432-EP2272827A1,
3432-EP2272828A1,
3432-EP2272832A1,
3432-EP2272841A1,
3432-EP2272849A1,
3432-EP2272935A1,
3432-EP2272972A1,
3432-EP2272973A1,
3432-EP2275395A2,
3432-EP2275401A1,
3432-EP2275404A1,
3432-EP2275409A1,
3432-EP2275411A2,
3432-EP2275412A1,
3432-EP2275413A1,
3432-EP2275415A2,
3432-EP2276346A2,
3432-EP2276750A2,
3432-EP2277858A1,
3432-EP2277872A1,
3432-EP2277876A1,
3432-EP2277877A1,
3432-EP2278973A1,
3432-EP2280000A1,
3432-EP2280008A2,
3432-EP2280009A1,
3432-EP2280948A1,
3432-EP2281563A1,
3432-EP2281812A1,
3432-EP2281815A1,
3432-EP2281818A1,
3432-EP2281819A1,
3432-EP2281824A1,
3432-EP2281861A2,
3432-EP2283898A1,
3432-EP2284149A1,
3432-EP2284150A2,
3432-EP2284151A2,
3432-EP2284152A2,
3432-EP2284153A2,
3432-EP2284155A2,
3432-EP2284156A2,
3432-EP2284157A1,
3432-EP2284159A1,
3432-EP2284160A1,
3432-EP2284164A2,
3432-EP2284920A1,
3432-EP2287140A2,
3432-EP2287148A2,
3432-EP2287150A2,
3432-EP2287156A1,
3432-EP2287165A2,
3432-EP2287166A2,
3432-EP2287167A1,
3432-EP2289871A1,
3432-EP2289894A2,
3432-EP2292586A2,
3432-EP2292590A2,
3432-EP2292592A1,
3432-EP2292593A2,
3432-EP2292597A1,
3432-EP2292604A2,
3432-EP2292611A1,
3432-EP2292613A1,
3432-EP2292614A1,
3432-EP2292617A1,
3432-EP2292619A1,
3432-EP2292620A2,
3432-EP2292630A1,
3432-EP2294055A1,
3432-EP2295055A2,
3432-EP2295416A2,
3432-EP2295419A2,
3432-EP2295426A1,
3432-EP2295427A1,
3432-EP2295429A1,
3432-EP2295432A1,
3432-EP2295433A2,
3432-EP2295439A1,
3432-EP2295441A2,
3432-EP2295503A1,
3432-EP2298731A1,
3432-EP2298732A1,
3432-EP2298748A2,
3432-EP2298750A1,
3432-EP2298755A1,
3432-EP2298761A1,
3432-EP2298767A1,
3432-EP2298768A1,
3432-EP2298770A1,
3432-EP2298774A1,
3432-EP2298778A1,
3432-EP2299785A1,
3432-EP2299818A1,
3432-EP2299823A1,
3432-EP2301534A1,
3432-EP2301536A1,
3432-EP2301538A1,
3432-EP2301912A2,
3432-EP2301913A1,
3432-EP2301914A1,
3432-EP2301916A2,
3432-EP2301918A1,
3432-EP2301921A1,
3432-EP2301923A1,
3432-EP2301926A1,
3432-EP2301928A1,
3432-EP2301936A1,
3432-EP2301937A1,
3432-EP2302003A1,
3432-EP2302015A1,
3432-EP2305219A1,
3432-EP2305250A1,
3432-EP2305637A2,
3432-EP2305640A2,
3432-EP2305642A2,
3432-EP2305643A1,
3432-EP2305648A1,
3432-EP2305651A1,
3432-EP2305657A2,
3432-EP2305658A1,
3432-EP2305659A1,
3432-EP2305672A1,
3432-EP2305682A1,
3432-EP2305688A1,
3432-EP2305695A2,
3432-EP2305696A2,
3432-EP2305697A2,
3432-EP2305698A2,
3432-EP2305808A1,
3432-EP2306788A1,
3432-EP2306789A1,
3432-EP2308510A1,
3432-EP2308562A2,
3432-EP2308812A2,
3432-EP2308832A1,
3432-EP2308833A2,
3432-EP2308839A1,
3432-EP2308840A1,
3432-EP2308844A2,
3432-EP2308845A2,
3432-EP2308846A2,
3432-EP2308847A1,
3432-EP2308848A1,
3432-EP2308849A1,
3432-EP2308850A1,
3432-EP2308854A1,
3432-EP2308855A1,
3432-EP2308861A1,
3432-EP2308863A1,
3432-EP2308874A1,
3432-EP2308879A1,
3432-EP2308880A1,
3432-EP2308960A1,
3432-EP2310012A1,
3432-EP2311451A1,
3432-EP2311453A1,
3432-EP2311455A1,
3432-EP2311796A1,
3432-EP2311797A1,
3432-EP2311798A1,
3432-EP2311799A1,
3432-EP2311801A1,
3432-EP2311807A1,
3432-EP2311808A1,
3432-EP2311811A1,
3432-EP2311815A1,
3432-EP2311818A1,
3432-EP2311825A1,
3432-EP2311827A1,
3432-EP2311829A1,
3432-EP2311837A1,
3432-EP2311842A2,
3432-EP2313413A1,
3432-EP2314295A1,
3432-EP2314574A1,
3432-EP2314575A1,
3432-EP2314576A1,
3432-EP2314582A1,
3432-EP2314583A1,
3432-EP2314587A1,
3432-EP2314590A1,
3432-EP2314593A1,
3432-EP2315303A1,
3432-EP2315755A2,
3432-EP2316450A1,
3432-EP2316452A1,
3432-EP2316459A1,
3432-EP2316470A2,
3432-EP2316831A1,
3432-EP2316832A1,
3432-EP2316833A1,
3432-EP2316834A1,
3432-EP2316974A1,
3432-EP2371795A1,
3432-EP2371811A2,
3432-EP2371814A1,
3432-EP2371831A1,
3432-EP2372804A1,
3432-EP2374454A1,
3432-EP2378585A1,
3432-EP2380872A1,
C00396,
K-7127,
10196-EP2270010A1,
10196-EP2292593A2,
10196-EP2301536A1,
10196-EP2301538A1,
10196-EP2311455A1,
10196-EP2316452A1,
289P952,
A819713,
I03-0160,
W-202211,
InChI=1/C4H4N2/c1-2-5-4-6-3-1/h1-4,
P1R,
null,
Pyrimidine (8CI,9CI),
C4H4N2,
CID9260,
Pyrimidine, 98% - 25G 25g,
C4-H4-N2,
(C4-H4-N2)2,
C030986,
Py,
PYR,
|
| Complexity | 32.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 80.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 80.09g/mol |
| Monoisotopic Mass | 80.037g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
| Symbol: | |
| Hazard Class | 3 |
| Hazard statements | H226 |
| Packing Group | Ⅲ |
| Precautionary statements | P210-P403+P235 |
| UN Code | UN 1993 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

