4-Amino-5-(4-aminophenyl)-1-[3-(3-methylphenoxy)propyl]pyrimidin-2-one
Basic information
- CAS
57278-27-0- Standard SMILES
Cc1cccc(OCCCn2cc(-c3ccc(N)cc3)c(N)nc2=O)c1- InChIKey
VQNAFZURPCXKII-UHFFFAOYSA-N- Molecular formula
- C20H22N4O2
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.17427596
Names & identifiers
- Preferred name
- 4-Amino-5-(4-aminophenyl)-1-[3-(3-methylphenoxy)propyl]pyrimidin-2-one
- IUPAC
- 4-amino-5-(4-aminophenyl)-1-[3-(3-methylphenoxy)propyl]pyrimidin-2-one
Names & synonyms
57278-27-0NSC2113154-amino-5-(4-aminophenyl)-1-[3-(3-methylphenoxy)propyl]pyrimidin-2-oneDTXSID40309201NSC-2113154-Amino-5-(4-aminophenyl)-1-[3-(3-methylphenoxy)propyl]pyrimidin-2(1H)-one
Database identifiers
- CAS
57278-27-0- PubChem CID
- 309145
- DTXSID
DTXSID40309201
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 552
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Compound notes
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