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

C10H9N3OS — CID 10867772

IUPAC3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESNn1c(=O)cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C10H9N3OS/c11-13-9(14)6-8(12-10(13)15)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,15)
InChIKeyCMEYUZBLIYJBBR-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.29
Rot. Bonds1

About 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one

3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 10867772) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID10867772
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESNn1c(=O)cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C10H9N3OS/c11-13-9(14)6-8(12-10(13)15)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,15)
InChIKeyCMEYUZBLIYJBBR-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-diphenyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 15733471
6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 67265851
4,6-diphenyl-1H-pyridin-2-one
CID 3846201
3-(3-aminophenyl)-5-phenyl-1H-imidazole-2-thione
CID 24964669
3-amino-4,6-diphenyl-1H-pyridine-2-thione
CID 71159912
2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
CID 91989506
3-amino-6-phenyl-1H-pyridin-2-one
CID 22405493
2-hydroxy-7-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one
CID 19755214
2-phenyl-5-[4-(5-phenyl-1H-pyrrol-2-yl)phenyl]-1H-pyrrole
CID 129072505
6-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 44724986
4-methyl-6-phenyl-1H-pyridine-2-thione
CID 21452512
3-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1H-imidazole-2-thione
CID 31196467

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 10867772) is 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one is Nn1c(=O)cc(-c2ccccc2)[nH]c1=S.
What is the InChIKey of 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is CMEYUZBLIYJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-13-9(14)6-8(12-10(13)15)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,15).
What are the key properties of 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 219.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 10867772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).