4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine

C12H9Cl3N2S — CID 66153320

IUPAC4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(CSc2ccccc2Cl)nc1Cl
InChIInChI=1S/C12H9Cl3N2S/c1-7-11(14)16-10(17-12(7)15)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3
InChIKeyGVYJIAJGFCECQC-UHFFFAOYSA-N
MW319.64 g/mol
LogP5.04
Rot. Bonds3

About 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine

4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine (PubChem CID 66153320) has the molecular formula C12H9Cl3N2S and a molecular weight of 319.64 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
PubChem CID66153320
Molecular FormulaC12H9Cl3N2S
Molecular Weight319.64 g/mol
Exact Mass317.96
IUPAC Name4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(CSc2ccccc2Cl)nc1Cl
InChIInChI=1S/C12H9Cl3N2S/c1-7-11(14)16-10(17-12(7)15)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3
InChIKeyGVYJIAJGFCECQC-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.64
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine 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-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine (CID 66153320) is 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine is Cc1c(Cl)nc(CSc2ccccc2Cl)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine?
The InChIKey is GVYJIAJGFCECQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2S/c1-7-11(14)16-10(17-12(7)15)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3.
What are the key properties of 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine?
4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine has a molecular weight of 319.64 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine is sourced from PubChem (CID 66153320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).