6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile

C13H10FN3 — CID 121206725

IUPAC6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H10FN3/c1-8-3-4-10(5-12(8)14)13-6-11(7-15)16-9(2)17-13/h3-6H,1-2H3
InChIKeyGWKHTASUIMKLTA-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.77
Rot. Bonds1

About 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile

6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile (PubChem CID 121206725) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile
PubChem CID121206725
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H10FN3/c1-8-3-4-10(5-12(8)14)13-6-11(7-15)16-9(2)17-13/h3-6H,1-2H3
InChIKeyGWKHTASUIMKLTA-UHFFFAOYSA-N
XLogP2.77
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
4-(3-Piperidin-1-Ylpropyl)-6-[3-(Trifluoromethyl)phenyl]pyrimidine-2-Carbonitrile
CID 11516307
2-Amino-4,6-diphenylpyrimidine-5-carbonitrile
CID 18507264
4-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130235

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile (CID 121206725) is 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile is Cc1nc(C#N)cc(-c2ccc(C)c(F)c2)n1.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile?
The InChIKey is GWKHTASUIMKLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-8-3-4-10(5-12(8)14)13-6-11(7-15)16-9(2)17-13/h3-6H,1-2H3.
What are the key properties of 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile?
6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 121206725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).