4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine

C14H16N2 — CID 70828603

IUPAC4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine
SMILESCCc1cc(-c2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C14H16N2/c1-4-13-9-14(16-11(3)15-13)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyILXLKCRLOAKMRM-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.32
Rot. Bonds2

About 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine

4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine (PubChem CID 70828603) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine
PubChem CID70828603
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine
SMILESCCc1cc(-c2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C14H16N2/c1-4-13-9-14(16-11(3)15-13)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyILXLKCRLOAKMRM-UHFFFAOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine 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 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine?
The IUPAC name of 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine (CID 70828603) is 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine?
The canonical SMILES for 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine is CCc1cc(-c2ccc(C)cc2)nc(C)n1.
What is the InChIKey of 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine?
The InChIKey is ILXLKCRLOAKMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-4-13-9-14(16-11(3)15-13)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine?
4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine has a molecular weight of 212.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 70828603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).