4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C11H16N2OS — CID 75119049

IUPAC4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCC(C)CSC1=NC(=O)N=C2CCCC21
InChIInChI=1S/C11H16N2OS/c1-7(2)6-15-10-8-4-3-5-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3
InChIKeyJVYCWDHSEGTYIN-UHFFFAOYSA-N
MW224.33 g/mol
LogP3.15
Rot. Bonds2

About 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 75119049) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID75119049
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCC(C)CSC1=NC(=O)N=C2CCCC21
InChIInChI=1S/C11H16N2OS/c1-7(2)6-15-10-8-4-3-5-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3
InChIKeyJVYCWDHSEGTYIN-UHFFFAOYSA-N
XLogP3.15
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-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

4-butan-2-ylsulfanyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 75119047
4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydro-4aH-quinazolin-2-one
CID 78457932
2-(2-methylpropylsulfanyl)cyclopentan-1-one
CID 43412809
2-(3-methylbutyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 61414670
3-(2-methylpropylsulfanyl)cyclohexan-1-one
CID 64715453
2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetic acid
CID 78312896
2-methyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 20801972
2-butan-2-yl-4,5,6,7-tetrahydro-3aH-indazol-3-one
CID 61382682
2-(7,8-dimethyl-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)-N-propan-2-ylacetamide
CID 53005429
2-(2,5-dimethylhexyl)cyclopentan-1-one
CID 54572047
2-(2-phenylethylsulfanyl)-5,6,7,8-tetrahydro-4aH-quinazolin-4-one
CID 73341047
2-(2-hydroxypropylsulfanyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 142062375

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 75119049) is 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is CC(C)CSC1=NC(=O)N=C2CCCC21.
What is the InChIKey of 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is JVYCWDHSEGTYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(2)6-15-10-8-4-3-5-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 224.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 75119049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).