2-{2-[3-Methoxy-4-(4-methyl-imidazol-1-yl)-phenylamino]-6-methyl-pyrimidin-4-yl}-propan-2-ol
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Basic information
- Standard SMILES
COc1cc(Nc2nc(C)cc(C(C)(C)O)n2)ccc1-n1cnc(C)c1- InChIKey
MRTPSISHMNUANA-UHFFFAOYSA-N- Molecular formula
- C19H23N5O2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.18517499
Names & identifiers
- Preferred name
- 2-{2-[3-Methoxy-4-(4-methyl-imidazol-1-yl)-phenylamino]-6-methyl-pyrimidin-4-yl}-propan-2-ol
- IUPAC
- 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-methylpyrimidin-4-yl]propan-2-ol
Names & synonyms
SCHEMBL4090640MRTPSISHMNUANA-UHFFFAOYSA-N2-{2-[3-Methoxy-4-(4-methyl-imidazol-1-yl)-phenylamino]-6-methyl-pyrimidin-4-yl}-propan-2-ol
Database identifiers
- PubChem CID
- 44192249
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
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Related reactions
1 records
Compound notes
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