2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine

C18H15ClN2O2S2 — CID 11101225

IUPAC2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine
SMILESCOc1ccccc1Sc1cc(Sc2ccccc2OC)nc(Cl)n1
InChIInChI=1S/C18H15ClN2O2S2/c1-22-12-7-3-5-9-14(12)24-16-11-17(21-18(19)20-16)25-15-10-6-4-8-13(15)23-2/h3-11H,1-2H3
InChIKeyHTCSXFYPAIQIKX-UHFFFAOYSA-N
MW390.92 g/mol
LogP5.45
Rot. Bonds6

About 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine

2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine (PubChem CID 11101225) has the molecular formula C18H15ClN2O2S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine
PubChem CID11101225
Molecular FormulaC18H15ClN2O2S2
Molecular Weight390.92 g/mol
Exact Mass390.03
IUPAC Name2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine
SMILESCOc1ccccc1Sc1cc(Sc2ccccc2OC)nc(Cl)n1
InChIInChI=1S/C18H15ClN2O2S2/c1-22-12-7-3-5-9-14(12)24-16-11-17(21-18(19)20-16)25-15-10-6-4-8-13(15)23-2/h3-11H,1-2H3
InChIKeyHTCSXFYPAIQIKX-UHFFFAOYSA-N
XLogP5.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.92
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]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 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine?
The IUPAC name of 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine (CID 11101225) is 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine.
What is the SMILES notation for 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine?
The canonical SMILES for 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine is COc1ccccc1Sc1cc(Sc2ccccc2OC)nc(Cl)n1.
What is the InChIKey of 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine?
The InChIKey is HTCSXFYPAIQIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S2/c1-22-12-7-3-5-9-14(12)24-16-11-17(21-18(19)20-16)25-15-10-6-4-8-13(15)23-2/h3-11H,1-2H3.
What are the key properties of 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine?
2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine has a molecular weight of 390.92 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine is sourced from PubChem (CID 11101225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).