7-phenyl-2-sulfanylidene-1H-pteridin-4-one

C12H8N4OS — CID 5377438

IUPAC7-phenyl-2-sulfanylidene-1H-pteridin-4-one
SMILESO=c1[nH]c(=S)[nH]c2nc(-c3ccccc3)cnc12
InChIInChI=1S/C12H8N4OS/c17-11-9-10(15-12(18)16-11)14-8(6-13-9)7-4-2-1-3-5-7/h1-6H,(H2,14,15,16,17,18)
InChIKeyUOCIWPKYGYRADP-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.04
Rot. Bonds1

About 7-phenyl-2-sulfanylidene-1H-pteridin-4-one

7-phenyl-2-sulfanylidene-1H-pteridin-4-one (PubChem CID 5377438) has the molecular formula C12H8N4OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 7-phenyl-2-sulfanylidene-1H-pteridin-4-one.

Molecular Properties

Compound Name7-phenyl-2-sulfanylidene-1H-pteridin-4-one
PubChem CID5377438
Molecular FormulaC12H8N4OS
Molecular Weight256.29 g/mol
Exact Mass256.04
IUPAC Name7-phenyl-2-sulfanylidene-1H-pteridin-4-one
SMILESO=c1[nH]c(=S)[nH]c2nc(-c3ccccc3)cnc12
InChIInChI=1S/C12H8N4OS/c17-11-9-10(15-12(18)16-11)14-8(6-13-9)7-4-2-1-3-5-7/h1-6H,(H2,14,15,16,17,18)
InChIKeyUOCIWPKYGYRADP-UHFFFAOYSA-N
XLogP2.04
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-phenyl-2-sulfanylidene-1H-pteridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 3419952
3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
CID 4123610
3-(2-chlorobenzyl)-2-thioxo-2,3-dihydropteridin-4(1H)-one
CID 2138513
N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide
CID 1277315
3-amino-N-cyclopentyl-6-phenyl-2-Pyrazinecarboxamide
CID 10401520
3-Amino-6-methyl-N-(6-methyl-2-pyridinyl)-2-pyrazinecarboxamide
CID 11402257
3-Amino-n,6-diphenylpyrazine-2-carboxamide
CID 46834296
3-Amino-n-phenyl-6-(pyridin-3-yl)pyrazine-2-carboxamide
CID 52937251
3-Amino-n-phenyl-6-(pyridin-4-yl)pyrazine-2-carboxamide
CID 52937252
3-amino-N-phenyl-6-(m-tolyl)pyrazine-2-carboxamide
CID 52937362
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-phenylpyrazine-2-carboxamide
CID 68187445

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-sulfanylidene-1H-pteridin-4-one?
The IUPAC name of 7-phenyl-2-sulfanylidene-1H-pteridin-4-one (CID 5377438) is 7-phenyl-2-sulfanylidene-1H-pteridin-4-one.
What is the SMILES notation for 7-phenyl-2-sulfanylidene-1H-pteridin-4-one?
The canonical SMILES for 7-phenyl-2-sulfanylidene-1H-pteridin-4-one is O=c1[nH]c(=S)[nH]c2nc(-c3ccccc3)cnc12.
What is the InChIKey of 7-phenyl-2-sulfanylidene-1H-pteridin-4-one?
The InChIKey is UOCIWPKYGYRADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS/c17-11-9-10(15-12(18)16-11)14-8(6-13-9)7-4-2-1-3-5-7/h1-6H,(H2,14,15,16,17,18).
What are the key properties of 7-phenyl-2-sulfanylidene-1H-pteridin-4-one?
7-phenyl-2-sulfanylidene-1H-pteridin-4-one has a molecular weight of 256.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-sulfanylidene-1H-pteridin-4-one is sourced from PubChem (CID 5377438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).