4-chloro-2,6-dimethyl-5-phenylpyrimidine

C12H11ClN2 — CID 15626109

IUPAC4-chloro-2,6-dimethyl-5-phenylpyrimidine
SMILESCc1nc(C)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C12H11ClN2/c1-8-11(10-6-4-3-5-7-10)12(13)15-9(2)14-8/h3-7H,1-2H3
InChIKeyDLSVFHVFAVBODV-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.41
Rot. Bonds1

About 4-chloro-2,6-dimethyl-5-phenylpyrimidine

4-chloro-2,6-dimethyl-5-phenylpyrimidine (PubChem CID 15626109) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-5-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-5-phenylpyrimidine
PubChem CID15626109
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-chloro-2,6-dimethyl-5-phenylpyrimidine
SMILESCc1nc(C)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C12H11ClN2/c1-8-11(10-6-4-3-5-7-10)12(13)15-9(2)14-8/h3-7H,1-2H3
InChIKeyDLSVFHVFAVBODV-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2,6-dimethyl-5-phenylpyrimidine 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-chloro-2,6-dimethyl-5-phenylpyrimidine?
The IUPAC name of 4-chloro-2,6-dimethyl-5-phenylpyrimidine (CID 15626109) is 4-chloro-2,6-dimethyl-5-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-dimethyl-5-phenylpyrimidine?
The canonical SMILES for 4-chloro-2,6-dimethyl-5-phenylpyrimidine is Cc1nc(C)c(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4-chloro-2,6-dimethyl-5-phenylpyrimidine?
The InChIKey is DLSVFHVFAVBODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-8-11(10-6-4-3-5-7-10)12(13)15-9(2)14-8/h3-7H,1-2H3.
What are the key properties of 4-chloro-2,6-dimethyl-5-phenylpyrimidine?
4-chloro-2,6-dimethyl-5-phenylpyrimidine has a molecular weight of 218.69 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-5-phenylpyrimidine is sourced from PubChem (CID 15626109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).