3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile

C15H15N3 — CID 56715776

IUPAC3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile
SMILESCc1nc(-c2cccc(C#N)c2)cc(C(C)C)n1
InChIInChI=1S/C15H15N3/c1-10(2)14-8-15(18-11(3)17-14)13-6-4-5-12(7-13)9-16/h4-8,10H,1-3H3
InChIKeyLFMKAWJQBHTEEJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.45
Rot. Bonds2

About 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile

3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile (PubChem CID 56715776) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile
PubChem CID56715776
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile
SMILESCc1nc(-c2cccc(C#N)c2)cc(C(C)C)n1
InChIInChI=1S/C15H15N3/c1-10(2)14-8-15(18-11(3)17-14)13-6-4-5-12(7-13)9-16/h4-8,10H,1-3H3
InChIKeyLFMKAWJQBHTEEJ-UHFFFAOYSA-N
XLogP3.45
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 80952960
2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile
CID 74238189
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
3-(3-methyl-4-propan-2-ylphenyl)benzonitrile
CID 156559237
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333
2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131988138
3-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 133409283
3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile
CID 22317642
3-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 63990563
4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82296144
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-[2-amino-6-[2-[(6-propan-2-yl-2-pyridinyl)methylimino]ethanehydrazonoyl]pyrimidin-4-yl]benzonitrile
CID 174111712

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile?
The IUPAC name of 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile (CID 56715776) is 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile.
What is the SMILES notation for 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile?
The canonical SMILES for 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile is Cc1nc(-c2cccc(C#N)c2)cc(C(C)C)n1.
What is the InChIKey of 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile?
The InChIKey is LFMKAWJQBHTEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10(2)14-8-15(18-11(3)17-14)13-6-4-5-12(7-13)9-16/h4-8,10H,1-3H3.
What are the key properties of 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile?
3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile is sourced from PubChem (CID 56715776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).