(NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine

C7H9N3O3 — CID 135080134

IUPAC(NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine
SMILESCOc1ncc(/C=N/O)c(OC)n1
InChIInChI=1S/C7H9N3O3/c1-12-6-5(4-9-11)3-8-7(10-6)13-2/h3-4,11H,1-2H3/b9-4+
InChIKeyNNXSZNWYYYRPGV-RUDMXATFSA-N
MW183.17 g/mol
LogP0.30
Rot. Bonds3

About (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine

(NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine (PubChem CID 135080134) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine
PubChem CID135080134
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name(NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine
SMILESCOc1ncc(/C=N/O)c(OC)n1
InChIInChI=1S/C7H9N3O3/c1-12-6-5(4-9-11)3-8-7(10-6)13-2/h3-4,11H,1-2H3/b9-4+
InChIKeyNNXSZNWYYYRPGV-RUDMXATFSA-N
XLogP0.30
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine (CID 135080134) is (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine is COc1ncc(/C=N/O)c(OC)n1.
What is the InChIKey of (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine?
The InChIKey is NNXSZNWYYYRPGV-RUDMXATFSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-12-6-5(4-9-11)3-8-7(10-6)13-2/h3-4,11H,1-2H3/b9-4+.
What are the key properties of (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine?
(NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine has a molecular weight of 183.17 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135080134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).