2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one

C10H8N4O4 — CID 135822628

IUPAC2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)nc(NO)[nH]1
InChIInChI=1S/C10H8N4O4/c15-9-5-8(11-10(12-9)13-16)6-1-3-7(4-2-6)14(17)18/h1-5,16H,(H2,11,12,13,15)
InChIKeyXYPGASSIIRFNDM-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.15
Rot. Bonds3

About 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one

2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one (PubChem CID 135822628) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one
PubChem CID135822628
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)nc(NO)[nH]1
InChIInChI=1S/C10H8N4O4/c15-9-5-8(11-10(12-9)13-16)6-1-3-7(4-2-6)14(17)18/h1-5,16H,(H2,11,12,13,15)
InChIKeyXYPGASSIIRFNDM-UHFFFAOYSA-N
XLogP1.15
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one (CID 135822628) is 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc(NO)[nH]1.
What is the InChIKey of 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one?
The InChIKey is XYPGASSIIRFNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c15-9-5-8(11-10(12-9)13-16)6-1-3-7(4-2-6)14(17)18/h1-5,16H,(H2,11,12,13,15).
What are the key properties of 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one?
2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one has a molecular weight of 248.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-4-(4-nitrophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135822628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).