(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine

C7H9N3O — CID 136952913

IUPAC(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine
SMILESCCc1nccc(/C=N/O)n1
InChIInChI=1S/C7H9N3O/c1-2-7-8-4-3-6(10-7)5-9-11/h3-5,11H,2H2,1H3/b9-5+
InChIKeyVQMIWLDUSOUTFB-WEVVVXLNSA-N
MW151.17 g/mol
LogP0.85
Rot. Bonds2

About (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine

(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine (PubChem CID 136952913) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine
PubChem CID136952913
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine
SMILESCCc1nccc(/C=N/O)n1
InChIInChI=1S/C7H9N3O/c1-2-7-8-4-3-6(10-7)5-9-11/h3-5,11H,2H2,1H3/b9-5+
InChIKeyVQMIWLDUSOUTFB-WEVVVXLNSA-N
XLogP0.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-ethenyl-2-ethylpyrimidine
CID 67765134
(NE)-N-[(2-methylpyrimidin-4-yl)methylidene]hydroxylamine;hydrochloride
CID 172906715
4-[(E)-but-1-enyl]-2-ethylpyrimidine
CID 59117217
(NZ)-N-[(2-benzylsulfanylpyrimidin-4-yl)methylidene]hydroxylamine
CID 135910618
N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
CID 135678754
N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
CID 137214364
N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine
CID 137241662
ethane;2-ethyl-4-propan-2-ylpyrimidine;sulfanol
CID 165133315
N-(2-ethylpyrimidin-4-yl)acetamide
CID 67743476
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
ethane;2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]pyrimidine
CID 153344116
3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol
CID 146317492

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine (CID 136952913) is (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine is CCc1nccc(/C=N/O)n1.
What is the InChIKey of (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine?
The InChIKey is VQMIWLDUSOUTFB-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-7-8-4-3-6(10-7)5-9-11/h3-5,11H,2H2,1H3/b9-5+.
What are the key properties of (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine?
(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine has a molecular weight of 151.17 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136952913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).