O-(4-aminopyrimidin-2-yl)hydroxylamine

C4H6N4O — CID 138667214

IUPACO-(4-aminopyrimidin-2-yl)hydroxylamine
SMILESNOc1nccc(N)n1
InChIInChI=1S/C4H6N4O/c5-3-1-2-7-4(8-3)9-6/h1-2H,6H2,(H2,5,7,8)
InChIKeyDDMUOXQPMTVTPH-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.69
Rot. Bonds1

About O-(4-aminopyrimidin-2-yl)hydroxylamine

O-(4-aminopyrimidin-2-yl)hydroxylamine (PubChem CID 138667214) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is O-(4-aminopyrimidin-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(4-aminopyrimidin-2-yl)hydroxylamine
PubChem CID138667214
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC NameO-(4-aminopyrimidin-2-yl)hydroxylamine
SMILESNOc1nccc(N)n1
InChIInChI=1S/C4H6N4O/c5-3-1-2-7-4(8-3)9-6/h1-2H,6H2,(H2,5,7,8)
InChIKeyDDMUOXQPMTVTPH-UHFFFAOYSA-N
XLogP-0.69
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.69
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 O-(4-aminopyrimidin-2-yl)hydroxylamine?
The IUPAC name of O-(4-aminopyrimidin-2-yl)hydroxylamine (CID 138667214) is O-(4-aminopyrimidin-2-yl)hydroxylamine.
What is the SMILES notation for O-(4-aminopyrimidin-2-yl)hydroxylamine?
The canonical SMILES for O-(4-aminopyrimidin-2-yl)hydroxylamine is NOc1nccc(N)n1.
What is the InChIKey of O-(4-aminopyrimidin-2-yl)hydroxylamine?
The InChIKey is DDMUOXQPMTVTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-3-1-2-7-4(8-3)9-6/h1-2H,6H2,(H2,5,7,8).
What are the key properties of O-(4-aminopyrimidin-2-yl)hydroxylamine?
O-(4-aminopyrimidin-2-yl)hydroxylamine has a molecular weight of 126.12 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-aminopyrimidin-2-yl)hydroxylamine is sourced from PubChem (CID 138667214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).