| CAS Number | 338965-07-4 |
| Catalog Number | AG00IRCI(AGN-PC-0WAV5V) |
| Chemical Name | 5-(4-Methoxybenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine |
| IUPAC Name | 5-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine |
| InChI | InChI=1S/C17H17N5O/c1-23-12-7-5-11(6-8-12)10-13-15(18)21-17(22-16(13)19)14-4-2-3-9-20-14/h2-9H,10H2,1H3,(H4,18,19,21,22) |
| InChI Key | GPQRSSNRWBYLCH-UHFFFAOYSA-N |
| MDL Number | MFCD00231627 |
| Molecular Formula | C17H17N5O |
| Molecular Weight | 307.3498 |
| SMILES | O(C3(=CC=C(CC2(=C(N=C(C1(=NC=CC=C1))N=C2N)N))C=C3))C |
| Synonyms | 338965-07-4,
5-(4-methoxybenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine,
5-[(4-methoxyphenyl)methyl]-2-(pyridin-2-yl)pyrimidine-4,6-diamine,
Oprea1_072498,
SCHEMBL1442600,
KS-00001YFJ,
ZINC2559812,
AKOS005097439,
MCULE-5230579710,
6K-008,
AC1MX8MV,
ZINC02559812,
CID3761709,
5-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.14331g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.35g/mol |
| Monoisotopic Mass | 307.14331g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number