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

C10H9N3O2 — CID 135421720

IUPAC2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(NO)[nH]1
InChIInChI=1S/C10H9N3O2/c14-9-6-8(11-10(12-9)13-15)7-4-2-1-3-5-7/h1-6,15H,(H2,11,12,13,14)
InChIKeyHTNOQOYSBUUBFN-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.24
Rot. Bonds2

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

2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135421720) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135421720
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(NO)[nH]1
InChIInChI=1S/C10H9N3O2/c14-9-6-8(11-10(12-9)13-15)7-4-2-1-3-5-7/h1-6,15H,(H2,11,12,13,14)
InChIKeyHTNOQOYSBUUBFN-UHFFFAOYSA-N
XLogP1.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one
CID 135433872
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
CID 136925145
6-oxo-4-phenyl-1H-pyrimidine-2-sulfonic acid
CID 151172455
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 137271554
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136791126
2-[2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135424200
2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
CID 135577957

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one (CID 135421720) is 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(NO)[nH]1.
What is the InChIKey of 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is HTNOQOYSBUUBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-9-6-8(11-10(12-9)13-15)7-4-2-1-3-5-7/h1-6,15H,(H2,11,12,13,14).
What are the key properties of 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one?
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 203.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135421720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).