| CAS Number | 1379277-55-0 |
| Catalog Number | AG01A1UL |
| Chemical Name | Propyl 2-amino-5-(pyrimidin-5-yl)benzoate |
| IUPAC Name | propyl 2-amino-5-pyrimidin-5-ylbenzoate |
| InChI | InChI=1S/C14H15N3O2/c1-2-5-19-14(18)12-6-10(3-4-13(12)15)11-7-16-9-17-8-11/h3-4,6-9H,2,5,15H2,1H3 |
| InChI Key | MZUXENCQJUUBPW-UHFFFAOYSA-N |
| MDL Number | MFCD11840154 |
| Molecular Formula | C14H15N3O2 |
| Molecular Weight | 257.2878 |
| SMILES | CCCOC(C1=C(N)C=CC(C2=CN=CN=C2)=C1)=O |
| Synonyms | propyl 2-amino-5-(pyrimidin-5-yl)benzoate,
1379277-55-0,
ZINC79610268,
AKOS013708697,
MCULE-5785030566,
NE37258,
Propyl 2-amino-5-(5-pyrimidinyl)benzoate,
Z1492781261,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.293g/mol |
| Monoisotopic Mass | 257.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number