6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one

C10H9N3OS — CID 951671

IUPAC6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESNc1[nH]c(=S)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C10H9N3OS/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H4,11,12,13,14,15)
InChIKeyZPQQTPVHDQLMHT-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.68
Rot. Bonds1

About 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one

6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 951671) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID951671
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESNc1[nH]c(=S)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C10H9N3OS/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H4,11,12,13,14,15)
InChIKeyZPQQTPVHDQLMHT-UHFFFAOYSA-N
XLogP1.68
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 951671) is 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one is Nc1[nH]c(=S)[nH]c(=O)c1-c1ccccc1.
What is the InChIKey of 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is ZPQQTPVHDQLMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H4,11,12,13,14,15).
What are the key properties of 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 219.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 951671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).