2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile

C17H19N3 — CID 116895043

IUPAC2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile
SMILESCc1cc(-c2cc(C(C)C)ccc2C)nc(CC#N)n1
InChIInChI=1S/C17H19N3/c1-11(2)14-6-5-12(3)15(10-14)16-9-13(4)19-17(20-16)7-8-18/h5-6,9-11H,7H2,1-4H3
InChIKeyXEJHTWKDFXMNFQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.95
Rot. Bonds3

About 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile

2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile (PubChem CID 116895043) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile
PubChem CID116895043
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile
SMILESCc1cc(-c2cc(C(C)C)ccc2C)nc(CC#N)n1
InChIInChI=1S/C17H19N3/c1-11(2)14-6-5-12(3)15(10-14)16-9-13(4)19-17(20-16)7-8-18/h5-6,9-11H,7H2,1-4H3
InChIKeyXEJHTWKDFXMNFQ-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile?
The IUPAC name of 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile (CID 116895043) is 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile is Cc1cc(-c2cc(C(C)C)ccc2C)nc(CC#N)n1.
What is the InChIKey of 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile?
The InChIKey is XEJHTWKDFXMNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11(2)14-6-5-12(3)15(10-14)16-9-13(4)19-17(20-16)7-8-18/h5-6,9-11H,7H2,1-4H3.
What are the key properties of 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile?
2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile is sourced from PubChem (CID 116895043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).