4-(Allylamino)-6-(4-methoxyphenyl)-2-(4-pyridinyl)-5-pyrimidinecarbonitrile
Basic information
- CAS
4699-85-8- Standard SMILES
C=CCNc1nc(-c2ccncc2)nc(-c2ccc(OC)cc2)c1C#N- InChIKey
GLTHZMRMEGFVSF-UHFFFAOYSA-N- Molecular formula
- C20H17N5O
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.14331018
Names & identifiers
- Preferred name
- 4-(Allylamino)-6-(4-methoxyphenyl)-2-(4-pyridinyl)-5-pyrimidinecarbonitrile
- IUPAC
- 4-(4-methoxyphenyl)-6-(prop-2-enylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile
Names & synonyms
2E-103S4699-85-84-(4-methoxyphenyl)-6-[(prop-2-en-1-yl)amino]-2-(pyridin-4-yl)pyrimidine-5-carbonitrile4-(allylamino)-6-(4-methoxyphenyl)-2-(4-pyridinyl)-5-pyrimidinecarbonitrileOprea1_720372DTXSID80409794AKOS005084498400078-49-1
Database identifiers
- CAS
4699-85-8- PubChem CID
- 5204871
- DTXSID
DTXSID80409794
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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