2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile

C17H19N3 — CID 116895284

IUPAC2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile
SMILESCCc1ccc(-c2cc(C)nc(C(C)(C)C#N)n2)cc1
InChIInChI=1S/C17H19N3/c1-5-13-6-8-14(9-7-13)15-10-12(2)19-16(20-15)17(3,4)11-18/h6-10H,5H2,1-4H3
InChIKeyMXAWDIMTYFSHNJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.82
Rot. Bonds3

About 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile

2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile (PubChem CID 116895284) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile
PubChem CID116895284
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile
SMILESCCc1ccc(-c2cc(C)nc(C(C)(C)C#N)n2)cc1
InChIInChI=1S/C17H19N3/c1-5-13-6-8-14(9-7-13)15-10-12(2)19-16(20-15)17(3,4)11-18/h6-10H,5H2,1-4H3
InChIKeyMXAWDIMTYFSHNJ-UHFFFAOYSA-N
XLogP3.82
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile
CID 82192609
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile
CID 39347922
3-[[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
CID 82192903
2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile
CID 72861892
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489
4-(4-ethylphenyl)pyrimidine-2-carbonitrile
CID 116900792
2-(ethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 55045466
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
CID 116896751

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile (CID 116895284) is 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile is CCc1ccc(-c2cc(C)nc(C(C)(C)C#N)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile?
The InChIKey is MXAWDIMTYFSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-5-13-6-8-14(9-7-13)15-10-12(2)19-16(20-15)17(3,4)11-18/h6-10H,5H2,1-4H3.
What are the key properties of 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile?
2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile has a molecular weight of 265.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 116895284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).