5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one

C10H9N5O2S — CID 136723543

IUPAC5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILESNc1c(/N=N/c2ccccc2O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C10H9N5O2S/c11-7-8(12-10(18)13-9(7)17)15-14-5-3-1-2-4-6(5)16/h1-4,16H,11H2,(H2,12,13,17,18)/b15-14+
InChIKeyBBLCGRMUSDPTCG-CCEZHUSRSA-N
MW263.28 g/mol
LogP2.14
Rot. Bonds2

About 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one

5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 136723543) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID136723543
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILESNc1c(/N=N/c2ccccc2O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C10H9N5O2S/c11-7-8(12-10(18)13-9(7)17)15-14-5-3-1-2-4-6(5)16/h1-4,16H,11H2,(H2,12,13,17,18)/b15-14+
InChIKeyBBLCGRMUSDPTCG-CCEZHUSRSA-N
XLogP2.14
TPSA119.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one (CID 136723543) is 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one is Nc1c(/N=N/c2ccccc2O)[nH]c(=S)[nH]c1=O.
What is the InChIKey of 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is BBLCGRMUSDPTCG-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-7-8(12-10(18)13-9(7)17)15-14-5-3-1-2-4-6(5)16/h1-4,16H,11H2,(H2,12,13,17,18)/b15-14+.
What are the key properties of 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one?
5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 263.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-hydroxyphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 136723543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).