4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine

C12H12Cl2N2S — CID 63613023

IUPAC4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(CC)c(Cl)n2)s1
InChIInChI=1S/C12H12Cl2N2S/c1-3-7-5-6-9(17-7)12-15-10(13)8(4-2)11(14)16-12/h5-6H,3-4H2,1-2H3
InChIKeyKUVUCXXVFFFBJG-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.64
Rot. Bonds3

About 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine

4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine (PubChem CID 63613023) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine
PubChem CID63613023
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(CC)c(Cl)n2)s1
InChIInChI=1S/C12H12Cl2N2S/c1-3-7-5-6-9(17-7)12-15-10(13)8(4-2)11(14)16-12/h5-6H,3-4H2,1-2H3
InChIKeyKUVUCXXVFFFBJG-UHFFFAOYSA-N
XLogP4.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)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-(5-ethylthiophen-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine (CID 63613023) is 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine is CCc1ccc(-c2nc(Cl)c(CC)c(Cl)n2)s1.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine?
The InChIKey is KUVUCXXVFFFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-3-7-5-6-9(17-7)12-15-10(13)8(4-2)11(14)16-12/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine?
4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine has a molecular weight of 287.22 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 63613023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).