2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H16N2S — CID 967742

IUPAC2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(SCc2ccccc2)nc2c1CCC2
InChIInChI=1S/C15H16N2S/c1-11-13-8-5-9-14(13)17-15(16-11)18-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyCJHXONWKMUNSNA-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.57
Rot. Bonds3

About 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 967742) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID967742
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(SCc2ccccc2)nc2c1CCC2
InChIInChI=1S/C15H16N2S/c1-11-13-8-5-9-14(13)17-15(16-11)18-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyCJHXONWKMUNSNA-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]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-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 967742) is 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(SCc2ccccc2)nc2c1CCC2.
What is the InChIKey of 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is CJHXONWKMUNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11-13-8-5-9-14(13)17-15(16-11)18-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 256.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 967742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).