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

C10H9N3OS — CID 1164574

IUPAC6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one
SMILESNc1cc(=O)[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C10H9N3OS/c11-8-6-9(14)12-10(15)13(8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14,15)
InChIKeyQVQJHSJTBJOIPP-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.48
Rot. Bonds1

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

6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 1164574) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one
PubChem CID1164574
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one
SMILESNc1cc(=O)[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C10H9N3OS/c11-8-6-9(14)12-10(15)13(8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14,15)
InChIKeyQVQJHSJTBJOIPP-UHFFFAOYSA-N
XLogP1.48
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.48
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-phenyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one (CID 1164574) is 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one is Nc1cc(=O)[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is QVQJHSJTBJOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-8-6-9(14)12-10(15)13(8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14,15).
What are the key properties of 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one?
6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 219.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-phenyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 1164574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).