2-benzylsulfanyl-4-(furan-2-yl)pyrimidine

C15H12N2OS — CID 2824246

IUPAC2-benzylsulfanyl-4-(furan-2-yl)pyrimidine
SMILESc1ccc(CSc2nccc(-c3ccco3)n2)cc1
InChIInChI=1S/C15H12N2OS/c1-2-5-12(6-3-1)11-19-15-16-9-8-13(17-15)14-7-4-10-18-14/h1-10H,11H2
InChIKeyOZGAQFBCYZEMDN-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.03
Rot. Bonds4

About 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine

2-benzylsulfanyl-4-(furan-2-yl)pyrimidine (PubChem CID 2824246) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-(furan-2-yl)pyrimidine
PubChem CID2824246
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-benzylsulfanyl-4-(furan-2-yl)pyrimidine
SMILESc1ccc(CSc2nccc(-c3ccco3)n2)cc1
InChIInChI=1S/C15H12N2OS/c1-2-5-12(6-3-1)11-19-15-16-9-8-13(17-15)14-7-4-10-18-14/h1-10H,11H2
InChIKeyOZGAQFBCYZEMDN-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-4-(furan-2-yl)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-benzylsulfanyl-4-(furan-2-yl)pyrimidine?
The IUPAC name of 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine (CID 2824246) is 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine?
The canonical SMILES for 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine is c1ccc(CSc2nccc(-c3ccco3)n2)cc1.
What is the InChIKey of 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine?
The InChIKey is OZGAQFBCYZEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-2-5-12(6-3-1)11-19-15-16-9-8-13(17-15)14-7-4-10-18-14/h1-10H,11H2.
What are the key properties of 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine?
2-benzylsulfanyl-4-(furan-2-yl)pyrimidine has a molecular weight of 268.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-(furan-2-yl)pyrimidine is sourced from PubChem (CID 2824246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).