2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile

C15H14FN3 — CID 116896541

IUPAC2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile
SMILESCCC(C#N)c1nc(C)cc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H14FN3/c1-3-11(9-17)15-18-10(2)7-14(19-15)12-5-4-6-13(16)8-12/h4-8,11H,3H2,1-2H3
InChIKeyPKWFNVRQSMQRIH-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.61
Rot. Bonds3

About 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile

2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile (PubChem CID 116896541) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile
PubChem CID116896541
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile
SMILESCCC(C#N)c1nc(C)cc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H14FN3/c1-3-11(9-17)15-18-10(2)7-14(19-15)12-5-4-6-13(16)8-12/h4-8,11H,3H2,1-2H3
InChIKeyPKWFNVRQSMQRIH-UHFFFAOYSA-N
XLogP3.61
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butanenitrile
CID 116896534
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]butanenitrile
CID 116891500
1-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]cyclobutane-1-carbonitrile
CID 116896126
1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 55204515
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
CID 62197922
ethane;2-(3-fluorophenyl)-5-methylpyridine
CID 142255933
2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313536
2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
CID 116989558
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060103
2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 4632780

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile?
The IUPAC name of 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile (CID 116896541) is 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile?
The canonical SMILES for 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile is CCC(C#N)c1nc(C)cc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile?
The InChIKey is PKWFNVRQSMQRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-3-11(9-17)15-18-10(2)7-14(19-15)12-5-4-6-13(16)8-12/h4-8,11H,3H2,1-2H3.
What are the key properties of 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile?
2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile has a molecular weight of 255.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]butanenitrile is sourced from PubChem (CID 116896541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).