| CAS Number | 918889-15-3 |
| Catalog Number | AG019LEA(AGN-PC-0WOCBK) |
| Chemical Name | 2-chloro-N-cyclopropyl-5-nitropyrimidin-4-amine |
| IUPAC Name | 2-chloro-N-cyclopropyl-5-nitropyrimidin-4-amine |
| InChI | InChI=1S/C7H7ClN4O2/c8-7-9-3-5(12(13)14)6(11-7)10-4-1-2-4/h3-4H,1-2H2,(H,9,10,11) |
| InChI Key | NNWSQRLDWYRIRV-UHFFFAOYSA-N |
| MDL Number | MFCD09863852 |
| Molecular Formula | C7H7ClN4O2 |
| Molecular Weight | 214.6091 |
| SMILES | [O-][N+](C1=C(NC2CC2)N=C(Cl)N=C1)=O |
| Synonyms | 2-chloro-N-cyclopropyl-5-nitropyrimidin-4-amine,
918889-15-3,
SCHEMBL1804937,
CTK6H4123,
NNWSQRLDWYRIRV-UHFFFAOYSA-N,
ZINC12759602,
AKOS005177521,
MCULE-4549240500,
NE55677,
ST51065484,
2-chloro-4-cyclopropylamino-5-nitropyrimidine,
EN300-30955,
(2-chloro-5-nitropyrimidin-4-yl)cyclopropylamine,
AC1Q1X1D,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.025753g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.61g/mol |
| Monoisotopic Mass | 214.025753g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number