4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine

C13H12Cl2N2 — CID 63612987

IUPAC4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine
SMILESCCc1c(Cl)nc(-c2cccc(C)c2)nc1Cl
InChIInChI=1S/C13H12Cl2N2/c1-3-10-11(14)16-13(17-12(10)15)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyWQPGSIHMIHQKOG-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.32
Rot. Bonds2

About 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine

4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine (PubChem CID 63612987) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine
PubChem CID63612987
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine
SMILESCCc1c(Cl)nc(-c2cccc(C)c2)nc1Cl
InChIInChI=1S/C13H12Cl2N2/c1-3-10-11(14)16-13(17-12(10)15)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyWQPGSIHMIHQKOG-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-5-ethyl-2-(3-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 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine (CID 63612987) is 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine is CCc1c(Cl)nc(-c2cccc(C)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine?
The InChIKey is WQPGSIHMIHQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-3-10-11(14)16-13(17-12(10)15)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine?
4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine has a molecular weight of 267.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 63612987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).