N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine

C7H11N3O2 — CID 59929594

IUPACN-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine
SMILESCCOc1nc(C)cc(NO)n1
InChIInChI=1S/C7H11N3O2/c1-3-12-7-8-5(2)4-6(9-7)10-11/h4,11H,3H2,1-2H3,(H,8,9,10)
InChIKeyXWDHMSDHULLFQS-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.98
Rot. Bonds3

About N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine

N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine (PubChem CID 59929594) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine
PubChem CID59929594
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine
SMILESCCOc1nc(C)cc(NO)n1
InChIInChI=1S/C7H11N3O2/c1-3-12-7-8-5(2)4-6(9-7)10-11/h4,11H,3H2,1-2H3,(H,8,9,10)
InChIKeyXWDHMSDHULLFQS-UHFFFAOYSA-N
XLogP0.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.98
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 N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine?
The IUPAC name of N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine (CID 59929594) is N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine.
What is the SMILES notation for N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine?
The canonical SMILES for N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine is CCOc1nc(C)cc(NO)n1.
What is the InChIKey of N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine?
The InChIKey is XWDHMSDHULLFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-7-8-5(2)4-6(9-7)10-11/h4,11H,3H2,1-2H3,(H,8,9,10).
What are the key properties of N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine?
N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine has a molecular weight of 169.18 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-6-methylpyrimidin-4-yl)hydroxylamine is sourced from PubChem (CID 59929594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).