6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide

C11H9N3O3S — CID 3000671

IUPAC6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)
InChIKeyGFYRZTLCYQQVHZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.39
Rot. Bonds2

About 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide

6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide (PubChem CID 3000671) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide
PubChem CID3000671
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)
InChIKeyGFYRZTLCYQQVHZ-UHFFFAOYSA-N
XLogP1.39
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide 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

Merbarone
CID 4990817
5-Pyrimidinecarboxanilide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxo-
CID 100782
1-(2-fluorophenyl)-6-hydroxy-2-sulfanylpyrimidin-4(1H)-one
CID 659104
6-Methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one
CID 3239037
2,4-Dioxo-6-phenylamino-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid phenylamide
CID 9818586
6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 1164574
5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 666626
6-Hydroxy-2-mercapto-3-phenyl-3H-pyrimidin-4-one
CID 779428
1-(4-fluorophenyl)-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
CID 885397
6-Hydroxy-3-(2-methylphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one
CID 912941
4-hydroxy-6-oxo-N,1,3-triphenyl-2-sulfanylidenepyrimidine-5-carboxamide
CID 137648380
5-Pyrimidinecarboxanilide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-
CID 3038015

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide (CID 3000671) is 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1c(O)[nH]c(=S)[nH]c1=O.
What is the InChIKey of 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide?
The InChIKey is GFYRZTLCYQQVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18).
What are the key properties of 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide?
6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3000671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).