Basic information
- Standard SMILES
COC(=O)C(Cc1cnc(Nc2ccc(OC)nc2)nc1Nc1ccccc1)c1ccc(OC)cc1- InChIKey
AKABDZICYIWPDV-UHFFFAOYSA-N- Molecular formula
- C27H27N5O4
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- 3-[2-(6-Methoxy-pyridin-3-ylamino)-4-phenylamino-pyrimidin-5-yl]-2-(4-methoxy-phenyl)-propionic acid methyl ester
- IUPAC
- methyl 3-[4-anilino-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoate
Names & synonyms
SCHEMBL4766654AKABDZICYIWPDV-UHFFFAOYSA-N3-[2-(6-methoxy-pyridin-3-ylamino)-4-phenylamino-pyrimidin-5-yl]-2-(4-methoxy-phenyl)-propionic acid methyl ester
Database identifiers
- PubChem CID
- 21044318
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 656
Related reactions
4 records
Linked notes
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