1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile

C16H10F3N3O — CID 3581005

IUPAC1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile
SMILESN#CC1=C2C=CC=CN2C(=O)NC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)15(11-6-2-1-3-7-11)12(10-20)13-8-4-5-9-22(13)14(23)21-15/h1-9H,(H,21,23)
InChIKeyUDTFFUVMRQBGRS-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.33
Rot. Bonds1

About 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile

1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile (PubChem CID 3581005) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile
PubChem CID3581005
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC Name1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile
SMILESN#CC1=C2C=CC=CN2C(=O)NC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)15(11-6-2-1-3-7-11)12(10-20)13-8-4-5-9-22(13)14(23)21-15/h1-9H,(H,21,23)
InChIKeyUDTFFUVMRQBGRS-UHFFFAOYSA-N
XLogP3.33
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-6-trifluoromethyl-3,4-dihydropyrimidin-2(1 h)-one
CID 15263505
2-[3-Benzyl-2-oxo-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-4-yl]acetonitrile
CID 137332227
2-[1-Benzyl-2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-4-yl]acetonitrile
CID 137332229
3-oxo-1-phenyl-1-(trifluoromethyl)-1H,2H,3H-pyrido[1,2-c]pyrimidine-4-carbonitrile
CID 4298743
1-(4-methylphenyl)-3-oxo-1-(trifluoromethyl)-1H,2H,3H-pyrido[1,2-c]pyrimidine-4-carbonitrile
CID 5019991
3-(4-methylphenyl)-1-oxo-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile
CID 5076972
5-cyano-N-ethyl-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide
CID 9924619
5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide
CID 10154984
4-[3,5-bis(trifluoromethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonitrile
CID 22473486
1-[(1R)-1-(3-cyano-5-fluorophenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 23582735
1-[1-(3-Cyano-5-fluorophenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 74065226
1-[(1S)-1-(3-cyanophenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 87152312

Frequently Asked Questions

What is the IUPAC name of 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile?
The IUPAC name of 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile (CID 3581005) is 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile.
What is the SMILES notation for 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile?
The canonical SMILES for 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile is N#CC1=C2C=CC=CN2C(=O)NC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile?
The InChIKey is UDTFFUVMRQBGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O/c17-16(18,19)15(11-6-2-1-3-7-11)12(10-20)13-8-4-5-9-22(13)14(23)21-15/h1-9H,(H,21,23).
What are the key properties of 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile?
1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile has a molecular weight of 317.27 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile is sourced from PubChem (CID 3581005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).