2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

C19H14N2OS2 — CID 139230796

IUPAC2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(SCc2ccccc2)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C19H14N2OS2/c1-23-18-15-16(13-9-5-6-10-14(13)17(15)22)20-19(21-18)24-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyQJLOGBQPFLZLBL-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.70
Rot. Bonds4

About 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one

2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (PubChem CID 139230796) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
PubChem CID139230796
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
SMILESCSc1nc(SCc2ccccc2)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C19H14N2OS2/c1-23-18-15-16(13-9-5-6-10-14(13)17(15)22)20-19(21-18)24-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyQJLOGBQPFLZLBL-UHFFFAOYSA-N
XLogP4.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(thiophen-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 9970832
2-Amino-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 10038941
4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
CID 23635881
2-{[(4-Fluorophenyl)methyl]amino}-4-methylindeno[3,2-d]pyrimidin-5-one
CID 7342572
2-Amino-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
CID 12508971
2,4-Bis(methylsulfanyl)indeno[1,2-d]pyrimidin-5-one
CID 12508969
2-Methyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
CID 12508970
1-(4-Fluorophenyl)-2-({2-methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}sulfanyl)ethan-1-one
CID 16876880
2-amino-4-(4-fluorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 17035746
2-Amino-9-(2,4-dimethyl-thiazol-5-ylmethyl)-4-(4-fluoro-phenyl)-indeno[1,2-d]pyrimidin-5-one
CID 51353560
2-Amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one
CID 52920479
2-Amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one
CID 52932270

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one (CID 139230796) is 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is CSc1nc(SCc2ccccc2)nc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is QJLOGBQPFLZLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c1-23-18-15-16(13-9-5-6-10-14(13)17(15)22)20-19(21-18)24-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one?
2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 350.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 139230796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).