O-(6-methoxypyrimidin-4-yl)hydroxylamine

C5H7N3O2 — CID 79421362

IUPACO-(6-methoxypyrimidin-4-yl)hydroxylamine
SMILESCOc1cc(ON)ncn1
InChIInChI=1S/C5H7N3O2/c1-9-4-2-5(10-6)8-3-7-4/h2-3H,6H2,1H3
InChIKeyQGPVQDXVBDTUNE-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.26
Rot. Bonds2

About O-(6-methoxypyrimidin-4-yl)hydroxylamine

O-(6-methoxypyrimidin-4-yl)hydroxylamine (PubChem CID 79421362) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is O-(6-methoxypyrimidin-4-yl)hydroxylamine.

Molecular Properties

Compound NameO-(6-methoxypyrimidin-4-yl)hydroxylamine
PubChem CID79421362
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC NameO-(6-methoxypyrimidin-4-yl)hydroxylamine
SMILESCOc1cc(ON)ncn1
InChIInChI=1S/C5H7N3O2/c1-9-4-2-5(10-6)8-3-7-4/h2-3H,6H2,1H3
InChIKeyQGPVQDXVBDTUNE-UHFFFAOYSA-N
XLogP-0.26
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
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-(6-methoxypyrimidin-4-yl)hydroxylamine?
The IUPAC name of O-(6-methoxypyrimidin-4-yl)hydroxylamine (CID 79421362) is O-(6-methoxypyrimidin-4-yl)hydroxylamine.
What is the SMILES notation for O-(6-methoxypyrimidin-4-yl)hydroxylamine?
The canonical SMILES for O-(6-methoxypyrimidin-4-yl)hydroxylamine is COc1cc(ON)ncn1.
What is the InChIKey of O-(6-methoxypyrimidin-4-yl)hydroxylamine?
The InChIKey is QGPVQDXVBDTUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-9-4-2-5(10-6)8-3-7-4/h2-3H,6H2,1H3.
What are the key properties of O-(6-methoxypyrimidin-4-yl)hydroxylamine?
O-(6-methoxypyrimidin-4-yl)hydroxylamine has a molecular weight of 141.13 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(6-methoxypyrimidin-4-yl)hydroxylamine is sourced from PubChem (CID 79421362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).