| CAS Number | 944129-00-4 |
| Catalog Number | AG00IMMG(AGN-PC-0WB2EZ) |
| Chemical Name | Methyl 6-amino-2-chloropyrimidine-4-carboxylate |
| IUPAC Name | methyl 6-amino-2-chloropyrimidine-4-carboxylate |
| InChI | InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-4(8)10-6(7)9-3/h2H,1H3,(H2,8,9,10) |
| InChI Key | DZPNGOOGJKXYRF-UHFFFAOYSA-N |
| MDL Number | MFCD14582103 |
| Molecular Formula | C6H6ClN3O2 |
| Molecular Weight | 187.5837 |
| SMILES | COC(=O)C1=CC(=NC(=N1)Cl)N |
| Synonyms | methyl 6-amino-2-chloropyrimidine-4-carboxylate,
944129-00-4,
SCHEMBL1222948,
CTK6I9357,
DZPNGOOGJKXYRF-UHFFFAOYSA-N,
KS-000029RO,
methylaminochloropyrimidinecarboxylate,
MFCD14582103,
ZINC63110940,
AKOS015855605,
MCULE-7045977139,
NE-0720,
RP11144,
AK321684,
TR-071805,
6-Amino-2-chloro-pyrimidine-4-carboxylic acid methyl ester,
6-amino-2-chloropyrimidine-4-carboxylic acid methyl ester,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.583g/mol |
| Monoisotopic Mass | 187.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number