6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one

C10H7N5O4S — CID 2754545

IUPAC6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1/N=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H7N5O4S/c16-8-7(9(17)12-10(20)11-8)14-13-5-3-1-2-4-6(5)15(18)19/h1-4H,(H3,11,12,16,17,20)/b14-13+
InChIKeyMWWNEVDAQFWOIO-BUHFOSPRSA-N
MW293.26 g/mol
LogP2.46
Rot. Bonds3

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

6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 2754545) has the molecular formula C10H7N5O4S and a molecular weight of 293.26 g/mol. Its IUPAC name is 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID2754545
Molecular FormulaC10H7N5O4S
Molecular Weight293.26 g/mol
Exact Mass293.02
IUPAC Name6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1/N=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H7N5O4S/c16-8-7(9(17)12-10(20)11-8)14-13-5-3-1-2-4-6(5)15(18)19/h1-4H,(H3,11,12,16,17,20)/b14-13+
InChIKeyMWWNEVDAQFWOIO-BUHFOSPRSA-N
XLogP2.46
TPSA136.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one (CID 2754545) is 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one is O=c1[nH]c(=S)[nH]c(O)c1/N=N/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is MWWNEVDAQFWOIO-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H7N5O4S/c16-8-7(9(17)12-10(20)11-8)14-13-5-3-1-2-4-6(5)15(18)19/h1-4H,(H3,11,12,16,17,20)/b14-13+.
What are the key properties of 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one?
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 293.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 2754545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).