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

C11H10N2O2S — CID 121206572

IUPAC1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one
SMILESO=c1[nH]c(=S)cc(-c2ccco2)n1C1CC1
InChIInChI=1S/C11H10N2O2S/c14-11-12-10(16)6-8(9-2-1-5-15-9)13(11)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,14,16)
InChIKeyKYFXRMONYNQUOA-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.50
Rot. Bonds2

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

1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one (PubChem CID 121206572) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one
PubChem CID121206572
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one
SMILESO=c1[nH]c(=S)cc(-c2ccco2)n1C1CC1
InChIInChI=1S/C11H10N2O2S/c14-11-12-10(16)6-8(9-2-1-5-15-9)13(11)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,14,16)
InChIKeyKYFXRMONYNQUOA-UHFFFAOYSA-N
XLogP2.50
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one?
The IUPAC name of 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one (CID 121206572) is 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one?
The canonical SMILES for 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one is O=c1[nH]c(=S)cc(-c2ccco2)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one?
The InChIKey is KYFXRMONYNQUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11-12-10(16)6-8(9-2-1-5-15-9)13(11)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,14,16).
What are the key properties of 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one?
1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one has a molecular weight of 234.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(furan-2-yl)-4-sulfanylidenepyrimidin-2-one is sourced from PubChem (CID 121206572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).