4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine

C15H16ClFN2 — CID 115502941

IUPAC4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2cccc(F)c2C)n1
InChIInChI=1S/C15H16ClFN2/c1-4-6-13-18-14(10(3)15(16)19-13)11-7-5-8-12(17)9(11)2/h5,7-8H,4,6H2,1-3H3
InChIKeyOMSYEBOYNPTBGZ-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.51
Rot. Bonds3

About 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine

4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine (PubChem CID 115502941) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
PubChem CID115502941
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2cccc(F)c2C)n1
InChIInChI=1S/C15H16ClFN2/c1-4-6-13-18-14(10(3)15(16)19-13)11-7-5-8-12(17)9(11)2/h5,7-8H,4,6H2,1-3H3
InChIKeyOMSYEBOYNPTBGZ-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine 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

4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
CID 104739134
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
CID 80970017
4-chloro-6-(2,3-dimethylphenyl)-2-ethyl-5-methylpyrimidine
CID 80975385
4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 80974938
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
CID 115502906
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301
N-(2-bromo-6-fluorophenyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 107602353
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine (CID 115502941) is 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(-c2cccc(F)c2C)n1.
What is the InChIKey of 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine?
The InChIKey is OMSYEBOYNPTBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-4-6-13-18-14(10(3)15(16)19-13)11-7-5-8-12(17)9(11)2/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine?
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine has a molecular weight of 278.76 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 115502941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).