6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one

C11H12N2O2S — CID 121206528

IUPAC6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one
SMILESCC(C)n1c(-c2ccco2)cc(=S)[nH]c1=O
InChIInChI=1S/C11H12N2O2S/c1-7(2)13-8(9-4-3-5-15-9)6-10(16)12-11(13)14/h3-7H,1-2H3,(H,12,14,16)
InChIKeyGIMBVJPWCGEJGH-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.75
Rot. Bonds2

About 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one

6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one (PubChem CID 121206528) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one.

Molecular Properties

Compound Name6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one
PubChem CID121206528
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one
SMILESCC(C)n1c(-c2ccco2)cc(=S)[nH]c1=O
InChIInChI=1S/C11H12N2O2S/c1-7(2)13-8(9-4-3-5-15-9)6-10(16)12-11(13)14/h3-7H,1-2H3,(H,12,14,16)
InChIKeyGIMBVJPWCGEJGH-UHFFFAOYSA-N
XLogP2.75
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one?
The IUPAC name of 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one (CID 121206528) is 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one.
What is the SMILES notation for 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one?
The canonical SMILES for 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one is CC(C)n1c(-c2ccco2)cc(=S)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one?
The InChIKey is GIMBVJPWCGEJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(2)13-8(9-4-3-5-15-9)6-10(16)12-11(13)14/h3-7H,1-2H3,(H,12,14,16).
What are the key properties of 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one?
6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one has a molecular weight of 236.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1-propan-2-yl-4-sulfanylidenepyrimidin-2-one is sourced from PubChem (CID 121206528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).