2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine

C17H11ClF2N2S — CID 69203993

IUPAC2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine
SMILESFc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2ncccn2)c1
InChIInChI=1S/C17H11ClF2N2S/c18-11-2-5-13(6-3-11)23-16(17-21-8-1-9-22-17)14-10-12(19)4-7-15(14)20/h1-10,16H
InChIKeyIETMMIJRZCWQQJ-UHFFFAOYSA-N
MW348.81 g/mol
LogP5.29
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine

2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine (PubChem CID 69203993) has the molecular formula C17H11ClF2N2S and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine
PubChem CID69203993
Molecular FormulaC17H11ClF2N2S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine
SMILESFc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2ncccn2)c1
InChIInChI=1S/C17H11ClF2N2S/c18-11-2-5-13(6-3-11)23-16(17-21-8-1-9-22-17)14-10-12(19)4-7-15(14)20/h1-10,16H
InChIKeyIETMMIJRZCWQQJ-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.81
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]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-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine?
The IUPAC name of 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine (CID 69203993) is 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine is Fc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2ncccn2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine?
The InChIKey is IETMMIJRZCWQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2S/c18-11-2-5-13(6-3-11)23-16(17-21-8-1-9-22-17)14-10-12(19)4-7-15(14)20/h1-10,16H.
What are the key properties of 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine?
2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine has a molecular weight of 348.81 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]pyrimidine is sourced from PubChem (CID 69203993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).