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Basic information
- Standard SMILES
COc1ccccc1C(C)CNc1cc(-c2ccc(N3CCN(C)CC3)nc2)ncn1- InChIKey
GXCLRMIOEAJTLH-UHFFFAOYSA-N- Molecular formula
- C24H30N6O
- Average molar mass
- 418.5 g/mol
Names & identifiers
- Preferred name
- N-(2-(2-methoxyphenyl)propyl)-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)pyrimidin-4-amine
- IUPAC
- N-[2-(2-methoxyphenyl)propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
Names & synonyms
SCHEMBL15328456GXCLRMIOEAJTLH-UHFFFAOYSA-NDB-114964N-(2-(2-methoxyphenyl)propyl)-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)pyrimidin-4-amine1476076-17-1
Database identifiers
- PubChem CID
- 73214432
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 528
Related reactions
2 records
Compound notes
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