2-(hydroxyamino)-1-methylpyrimidin-4-one

C5H7N3O2 — CID 45087895

IUPAC2-(hydroxyamino)-1-methylpyrimidin-4-one
SMILESCn1ccc(=O)nc1NO
InChIInChI=1S/C5H7N3O2/c1-8-3-2-4(9)6-5(8)7-10/h2-3,10H,1H3,(H,6,7,9)
InChIKeySGCHADGVDWESQG-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.42
Rot. Bonds1

About 2-(hydroxyamino)-1-methylpyrimidin-4-one

2-(hydroxyamino)-1-methylpyrimidin-4-one (PubChem CID 45087895) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(hydroxyamino)-1-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(hydroxyamino)-1-methylpyrimidin-4-one
PubChem CID45087895
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-(hydroxyamino)-1-methylpyrimidin-4-one
SMILESCn1ccc(=O)nc1NO
InChIInChI=1S/C5H7N3O2/c1-8-3-2-4(9)6-5(8)7-10/h2-3,10H,1H3,(H,6,7,9)
InChIKeySGCHADGVDWESQG-UHFFFAOYSA-N
XLogP-0.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-1-methylpyrimidin-4-one?
The IUPAC name of 2-(hydroxyamino)-1-methylpyrimidin-4-one (CID 45087895) is 2-(hydroxyamino)-1-methylpyrimidin-4-one.
What is the SMILES notation for 2-(hydroxyamino)-1-methylpyrimidin-4-one?
The canonical SMILES for 2-(hydroxyamino)-1-methylpyrimidin-4-one is Cn1ccc(=O)nc1NO.
What is the InChIKey of 2-(hydroxyamino)-1-methylpyrimidin-4-one?
The InChIKey is SGCHADGVDWESQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-3-2-4(9)6-5(8)7-10/h2-3,10H,1H3,(H,6,7,9).
What are the key properties of 2-(hydroxyamino)-1-methylpyrimidin-4-one?
2-(hydroxyamino)-1-methylpyrimidin-4-one has a molecular weight of 141.13 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-1-methylpyrimidin-4-one is sourced from PubChem (CID 45087895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).