2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile

C18H21N3 — CID 74238189

IUPAC2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile
SMILESCc1nc(-c2ccc(C(C)(C)C#N)cc2)cc(C(C)C)n1
InChIInChI=1S/C18H21N3/c1-12(2)16-10-17(21-13(3)20-16)14-6-8-15(9-7-14)18(4,5)11-19/h6-10,12H,1-5H3
InChIKeyIHMOLCMTZGLKGD-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.38
Rot. Bonds3

About 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile

2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile (PubChem CID 74238189) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile
PubChem CID74238189
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile
SMILESCc1nc(-c2ccc(C(C)(C)C#N)cc2)cc(C(C)C)n1
InChIInChI=1S/C18H21N3/c1-12(2)16-10-17(21-13(3)20-16)14-6-8-15(9-7-14)18(4,5)11-19/h6-10,12H,1-5H3
InChIKeyIHMOLCMTZGLKGD-UHFFFAOYSA-N
XLogP4.38
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 56715776
2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile
CID 72861892
2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane
CID 164918825
ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile
CID 143997025
4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
CID 22135532
2-methyl-2-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]propanenitrile
CID 121498391
2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097202
2-[4-(4-fluorophenyl)phenyl]-2-methylpropanenitrile
CID 82084297
2-[4-[(1R)-1-aminoethyl]phenyl]-2-methylpropanenitrile
CID 58298494
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile
CID 82091776
2-[4-[(1S)-1-aminoethyl]-3-methylphenyl]-2-methylpropanenitrile
CID 58298501

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile (CID 74238189) is 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile is Cc1nc(-c2ccc(C(C)(C)C#N)cc2)cc(C(C)C)n1.
What is the InChIKey of 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile?
The InChIKey is IHMOLCMTZGLKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12(2)16-10-17(21-13(3)20-16)14-6-8-15(9-7-14)18(4,5)11-19/h6-10,12H,1-5H3.
What are the key properties of 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile?
2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile has a molecular weight of 279.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile is sourced from PubChem (CID 74238189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).