4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine

C18H15ClN2 — CID 104845832

IUPAC4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine
SMILESCc1ccccc1-c1nc(Cl)c(C)c(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2/c1-12-8-6-7-11-15(12)18-20-16(13(2)17(19)21-18)14-9-4-3-5-10-14/h3-11H,1-2H3
InChIKeyFUEOHXJLFIDNBC-UHFFFAOYSA-N
MW294.79 g/mol
LogP5.08
Rot. Bonds2

About 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine

4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine (PubChem CID 104845832) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine
PubChem CID104845832
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine
SMILESCc1ccccc1-c1nc(Cl)c(C)c(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2/c1-12-8-6-7-11-15(12)18-20-16(13(2)17(19)21-18)14-9-4-3-5-10-14/h3-11H,1-2H3
InChIKeyFUEOHXJLFIDNBC-UHFFFAOYSA-N
XLogP5.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine 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

5-methyl-2-(2-methylphenyl)-6-phenylpyrimidin-4-amine
CID 104846734
5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 123896494
4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine
CID 104845868
4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
CID 104845792
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845875
2-(4-bromo-5-methylthiophen-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 102842775
4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200
6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline
CID 141477649
4-chloro-2-(2-methylphenyl)thieno[2,3-d]pyrimidine
CID 62177117
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163651654

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine (CID 104845832) is 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine is Cc1ccccc1-c1nc(Cl)c(C)c(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine?
The InChIKey is FUEOHXJLFIDNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c1-12-8-6-7-11-15(12)18-20-16(13(2)17(19)21-18)14-9-4-3-5-10-14/h3-11H,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine?
4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine has a molecular weight of 294.79 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 104845832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).