4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine

C13H11Cl3N2O — CID 79438112

IUPAC4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(-c2ccc(Cl)cc2)c(Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-19-7-6-10-17-12(15)11(13(16)18-10)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3
InChIKeyVTARCHVKOKVOFO-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.29
Rot. Bonds4

About 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine

4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine (PubChem CID 79438112) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
PubChem CID79438112
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(-c2ccc(Cl)cc2)c(Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-19-7-6-10-17-12(15)11(13(16)18-10)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3
InChIKeyVTARCHVKOKVOFO-UHFFFAOYSA-N
XLogP4.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)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-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine (CID 79438112) is 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine is COCCc1nc(Cl)c(-c2ccc(Cl)cc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine?
The InChIKey is VTARCHVKOKVOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-19-7-6-10-17-12(15)11(13(16)18-10)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine?
4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine has a molecular weight of 317.60 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 79438112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).