2-methyl-4-[(E)-2-phenylethenyl]pyrimidine

C13H12N2 — CID 13302355

IUPAC2-methyl-4-[(E)-2-phenylethenyl]pyrimidine
SMILESCc1nccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C13H12N2/c1-11-14-10-9-13(15-11)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
InChIKeyKJYKPKYOSOMVGJ-BQYQJAHWSA-N
MW196.25 g/mol
LogP2.96
Rot. Bonds2

About 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine

2-methyl-4-[(E)-2-phenylethenyl]pyrimidine (PubChem CID 13302355) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(E)-2-phenylethenyl]pyrimidine
PubChem CID13302355
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-methyl-4-[(E)-2-phenylethenyl]pyrimidine
SMILESCc1nccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C13H12N2/c1-11-14-10-9-13(15-11)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
InChIKeyKJYKPKYOSOMVGJ-BQYQJAHWSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-6-[(Z)-2-phenylethenyl]pyridine
CID 6604016
4-[(E)-3-bromoprop-1-enyl]-2-methylpyrimidine
CID 115530171
2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine
CID 129256640
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
2,4-dimethylpyrimidine;toluene
CID 142206905
(NE)-N-[(2-methylpyrimidin-4-yl)methylidene]hydroxylamine;hydrochloride
CID 172906715
2-(2-phenylethenyl)pyridine isocyanate
CID 86740696
CID 70567885
CID 70567885
CID 70569152
CID 70569152
5-[(E)-2-phenylethenyl]pyrazine-2,3-dicarbonitrile
CID 15357442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine?
The IUPAC name of 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine (CID 13302355) is 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine?
The canonical SMILES for 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine is Cc1nccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine?
The InChIKey is KJYKPKYOSOMVGJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H12N2/c1-11-14-10-9-13(15-11)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+.
What are the key properties of 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine?
2-methyl-4-[(E)-2-phenylethenyl]pyrimidine has a molecular weight of 196.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-2-phenylethenyl]pyrimidine is sourced from PubChem (CID 13302355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).