6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one

C7H9N3OS — CID 19616890

IUPAC6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one
SMILESNc1cc(=O)[nH]c(=S)n1C1CC1
InChIInChI=1S/C7H9N3OS/c8-5-3-6(11)9-7(12)10(5)4-1-2-4/h3-4H,1-2,8H2,(H,9,11,12)
InChIKeySVOANWVDMFURAX-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.82
Rot. Bonds1

About 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one

6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 19616890) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one
PubChem CID19616890
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one
SMILESNc1cc(=O)[nH]c(=S)n1C1CC1
InChIInChI=1S/C7H9N3OS/c8-5-3-6(11)9-7(12)10(5)4-1-2-4/h3-4H,1-2,8H2,(H,9,11,12)
InChIKeySVOANWVDMFURAX-UHFFFAOYSA-N
XLogP0.82
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
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 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one (CID 19616890) is 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one is Nc1cc(=O)[nH]c(=S)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is SVOANWVDMFURAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c8-5-3-6(11)9-7(12)10(5)4-1-2-4/h3-4H,1-2,8H2,(H,9,11,12).
What are the key properties of 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one?
6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 183.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 19616890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).