| CAS Number | 1749-71-9 |
| Catalog Number | AG00201I(AGN-PC-0QAOCA) |
| Chemical Name | 2-Pyrimidinamine, 5-methoxy-4-methyl- |
| IUPAC Name | 5-methoxy-4-methylpyrimidin-2-amine |
| InChI | InChI=1S/C6H9N3O/c1-4-5(10-2)3-8-6(7)9-4/h3H,1-2H3,(H2,7,8,9) |
| InChI Key | CHFIUTHZJHXEKJ-UHFFFAOYSA-N |
| MDL Number | MFCD18377707 |
| Molecular Formula | C6H9N3O |
| Molecular Weight | 139.1552 |
| SMILES | COC=1C(=NC(=NC1)N)C |
| Synonyms | 1749-71-9,
5-methoxy-4-methylpyrimidin-2-amine,
Pyrimidine, 2-amino-5-methoxy-4-methyl- (7CI,8CI),
5-Methoxy-4-methyl-2-pyrimidinamine,
MFCD18377707,
ZINC39053761,
AKOS006339672,
2-Pyrimidinamine, 5-methoxy-4-methyl-,
KS-00000060,
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| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.158g/mol |
| Monoisotopic Mass | 139.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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