1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one

C10H14N2OS — CID 64688640

IUPAC1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one
SMILESCC1(n2ccc(=O)[nH]c2=S)CCCC1
InChIInChI=1S/C10H14N2OS/c1-10(5-2-3-6-10)12-7-4-8(13)11-9(12)14/h4,7H,2-3,5-6H2,1H3,(H,11,13,14)
InChIKeyMDNQDZFZFUFRRS-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.20
Rot. Bonds1

About 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one

1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one (PubChem CID 64688640) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one
PubChem CID64688640
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one
SMILESCC1(n2ccc(=O)[nH]c2=S)CCCC1
InChIInChI=1S/C10H14N2OS/c1-10(5-2-3-6-10)12-7-4-8(13)11-9(12)14/h4,7H,2-3,5-6H2,1H3,(H,11,13,14)
InChIKeyMDNQDZFZFUFRRS-UHFFFAOYSA-N
XLogP2.20
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one 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 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one (CID 64688640) is 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one is CC1(n2ccc(=O)[nH]c2=S)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one?
The InChIKey is MDNQDZFZFUFRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-10(5-2-3-6-10)12-7-4-8(13)11-9(12)14/h4,7H,2-3,5-6H2,1H3,(H,11,13,14).
What are the key properties of 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one?
1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one has a molecular weight of 210.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 64688640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).