6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one

C7H8N2OS — CID 3036432

IUPAC6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(C2CC2)[nH]c(=S)[nH]1
InChIInChI=1S/C7H8N2OS/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)
InChIKeyGLUYITABZSFAIA-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.31
Rot. Bonds1

About 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one

6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 3036432) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID3036432
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(C2CC2)[nH]c(=S)[nH]1
InChIInChI=1S/C7H8N2OS/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)
InChIKeyGLUYITABZSFAIA-UHFFFAOYSA-N
XLogP1.31
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 3036432) is 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one is O=c1cc(C2CC2)[nH]c(=S)[nH]1.
What is the InChIKey of 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is GLUYITABZSFAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11).
What are the key properties of 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one?
6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 168.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 3036432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).