4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine

C12H9Cl3N2 — CID 80936131

IUPAC4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H9Cl3N2/c1-2-11-16-9(6-10(14)17-11)7-4-3-5-8(13)12(7)15/h3-6H,2H2,1H3
InChIKeyNAAHHHZSJNCUIT-UHFFFAOYSA-N
MW287.58 g/mol
LogP4.67
Rot. Bonds2

About 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine

4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine (PubChem CID 80936131) has the molecular formula C12H9Cl3N2 and a molecular weight of 287.58 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
PubChem CID80936131
Molecular FormulaC12H9Cl3N2
Molecular Weight287.58 g/mol
Exact Mass285.98
IUPAC Name4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H9Cl3N2/c1-2-11-16-9(6-10(14)17-11)7-4-3-5-8(13)12(7)15/h3-6H,2H2,1H3
InChIKeyNAAHHHZSJNCUIT-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.58
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine 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-6-(2,3-dichlorophenyl)-2-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine (CID 80936131) is 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine is CCc1nc(Cl)cc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine?
The InChIKey is NAAHHHZSJNCUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2/c1-2-11-16-9(6-10(14)17-11)7-4-3-5-8(13)12(7)15/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine?
4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine has a molecular weight of 287.58 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine is sourced from PubChem (CID 80936131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).