4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine

C11H7ClF2N2S — CID 55080102

IUPAC4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C11H7ClF2N2S/c1-6-15-10(12)5-11(16-6)17-9-4-7(13)2-3-8(9)14/h2-5H,1H3
InChIKeyKUHNNGQKDPQBCW-UHFFFAOYSA-N
MW272.71 g/mol
LogP3.87
Rot. Bonds2

About 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine

4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine (PubChem CID 55080102) has the molecular formula C11H7ClF2N2S and a molecular weight of 272.71 g/mol. Its IUPAC name is 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine
PubChem CID55080102
Molecular FormulaC11H7ClF2N2S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C11H7ClF2N2S/c1-6-15-10(12)5-11(16-6)17-9-4-7(13)2-3-8(9)14/h2-5H,1H3
InChIKeyKUHNNGQKDPQBCW-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-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-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine (CID 55080102) is 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine is Cc1nc(Cl)cc(Sc2cc(F)ccc2F)n1.
What is the InChIKey of 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine?
The InChIKey is KUHNNGQKDPQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2S/c1-6-15-10(12)5-11(16-6)17-9-4-7(13)2-3-8(9)14/h2-5H,1H3.
What are the key properties of 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine?
4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine has a molecular weight of 272.71 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine is sourced from PubChem (CID 55080102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).