5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile

C17H11FN4O — CID 11197527

IUPAC5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile
SMILESCn1c(C#N)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H11FN4O/c1-22-14(10-19)21-16(12-6-8-20-9-7-12)15(17(22)23)11-2-4-13(18)5-3-11/h2-9H,1H3
InChIKeyFMSDDXKMQFREPS-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.52
Rot. Bonds2

About 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile

5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile (PubChem CID 11197527) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile
PubChem CID11197527
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile
SMILESCn1c(C#N)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H11FN4O/c1-22-14(10-19)21-16(12-6-8-20-9-7-12)15(17(22)23)11-2-4-13(18)5-3-11/h2-9H,1H3
InChIKeyFMSDDXKMQFREPS-UHFFFAOYSA-N
XLogP2.52
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767896
5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 21045476
2-(3,3-diphenylpropylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767912
5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 18767931
2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767920
2-[[(3R)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one;2-[[(3S)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 70347090
2-[[(3R)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22091783
5-(4-fluorophenyl)-3-methyl-2-[[(3R)-3-phenyl-3-(propan-2-ylamino)propyl]amino]-6-pyridin-4-ylpyrimidin-4-one
CID 22091809
2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767902
5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile
CID 10446307
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one
CID 142816165

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile (CID 11197527) is 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile is Cn1c(C#N)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile?
The InChIKey is FMSDDXKMQFREPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c1-22-14(10-19)21-16(12-6-8-20-9-7-12)15(17(22)23)11-2-4-13(18)5-3-11/h2-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile?
5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile has a molecular weight of 306.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 11197527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).