4-Amino-5-(4-methoxyphenyl)-1-(3-phenoxypropyl)pyrimidin-2-one
Basic information
- CAS
23572-61-4- Standard SMILES
COc1ccc(-c2cn(CCCOc3ccccc3)c(=O)nc2N)cc1- InChIKey
XWJNVFFRTFMFCY-UHFFFAOYSA-N- Molecular formula
- C20H21N3O3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.15829154
Names & identifiers
- Preferred name
- 4-Amino-5-(4-methoxyphenyl)-1-(3-phenoxypropyl)pyrimidin-2-one
- IUPAC
- 4-amino-5-(4-methoxyphenyl)-1-(3-phenoxypropyl)pyrimidin-2-one
Names & synonyms
23572-61-44-amino-5-(4-methoxyphenyl)-1-(3-phenoxypropyl)pyrimidin-2-oneNSC211819DTXSID00309343NSC-2118194-Amino-5-(4-methoxyphenyl)-1-(3-phenoxypropyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
23572-61-4- PubChem CID
- 309523
- DTXSID
DTXSID00309343
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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