4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine

C12H10Cl2N2OS — CID 1476284

IUPAC4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine
SMILESCOc1cnc(SCc2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-17-10-6-15-12(16-11(10)14)18-7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyHVNCKXYPDAMYRC-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.08
Rot. Bonds4

About 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine

4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine (PubChem CID 1476284) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine
PubChem CID1476284
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine
SMILESCOc1cnc(SCc2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-17-10-6-15-12(16-11(10)14)18-7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyHVNCKXYPDAMYRC-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine 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-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine?
The IUPAC name of 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine (CID 1476284) is 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine.
What is the SMILES notation for 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine?
The canonical SMILES for 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine is COc1cnc(SCc2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine?
The InChIKey is HVNCKXYPDAMYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-17-10-6-15-12(16-11(10)14)18-7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine?
4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine has a molecular weight of 301.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidine is sourced from PubChem (CID 1476284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).