{3-[(5-Chloro-4-{[3-(3-methoxyphenyl)propyl]amino}pyrimidin-2-yl)amino]phenyl}methanol
Basic information
- Standard SMILES
COc1cccc(CCCNc2nc(Nc3cccc(CO)c3)ncc2Cl)c1- InChIKey
ACLSRTZZGHHKIG-UHFFFAOYSA-N- Molecular formula
- C21H23ClN4O2
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.1509537
Names & identifiers
- Preferred name
- {3-[(5-Chloro-4-{[3-(3-methoxyphenyl)propyl]amino}pyrimidin-2-yl)amino]phenyl}methanol
- IUPAC
- [3-[[5-chloro-4-[3-(3-methoxyphenyl)propylamino]pyrimidin-2-yl]amino]phenyl]methanol
Names & synonyms
SCHEMBL2516090ACLSRTZZGHHKIG-UHFFFAOYSA-N{3-[(5-Chloro-4-{[3-(3-methoxyphenyl)propyl]amino}pyrimidin-2-yl)amino]phenyl}methanol
Database identifiers
- PubChem CID
- 58467910
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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