| CAS Number | 1086386-57-3 |
| Catalog Number | AG0090A5(AGN-PC-07XVMA) |
| Chemical Name | Methyl 2-[(6-chloro-4-pyrimidinyl)amino]acetate |
| IUPAC Name | methyl 2-[(6-chloropyrimidin-4-yl)amino]acetate |
| InChI | InChI=1S/C7H8ClN3O2/c1-13-7(12)3-9-6-2-5(8)10-4-11-6/h2,4H,3H2,1H3,(H,9,10,11) |
| InChI Key | OGNLKIOVRIFRKV-UHFFFAOYSA-N |
| MDL Number | MFCD11655641 |
| Molecular Formula | C7H8ClN3O2 |
| Molecular Weight | 201.6103 |
| SMILES | COC(=O)CNc1cc(Cl)ncn1 |
| Synonyms | 1086386-57-3,
methyl (6-chloropyrimidin-4-yl)glycinate,
MFCD11655641,
Methyl 2-(6-chloro-4-pyrimidinylamino)acetate,
ZINC36294471,
AKOS010531314,
MCULE-8904774973,
Methyl 2-(6-chloro-4-pyrimidinylamino)acetate, 96%,
F9995-1084,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.61g/mol |
| Monoisotopic Mass | 201.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number