| CAS Number | 320420-53-9 |
| Catalog Number | AG00IOAS(AGN-PC-0WAREI) |
| Chemical Name | 5-(3,4-dimethoxyphenyl)-4-methyl-2-pyrimidinamine |
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine |
| InChI | InChI=1S/C13H15N3O2/c1-8-10(7-15-13(14)16-8)9-4-5-11(17-2)12(6-9)18-3/h4-7H,1-3H3,(H2,14,15,16) |
| InChI Key | ZGBHNTAZSJHFHP-UHFFFAOYSA-N |
| MDL Number | MFCD00173442 |
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.2771 |
| SMILES | O(C1(=C(OC)C=CC(=C1)C2(=C(N=C(N)N=C2)C)))C |
| Synonyms | 5-(3,4-dimethoxyphenyl)-4-methyl-2-pyrimidinamine,
320420-53-9,
5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine,
AC1LS7OG,
Oprea1_582440,
SCHEMBL5798702,
KS-00001TGY,
ZGBHNTAZSJHFHP-UHFFFAOYSA-N,
ZINC1397203,
MFCD00173442,
AKOS005082074,
MCULE-1505487011,
1G-037,
ZINC01397203,
CID1483651,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.282g/mol |
| Monoisotopic Mass | 245.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number