O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine

C8H12N4O — CID 118972868

IUPACO-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine
SMILESCNc1ncnc(/C=C/ON)c1C
InChIInChI=1S/C8H12N4O/c1-6-7(3-4-13-9)11-5-12-8(6)10-2/h3-5H,9H2,1-2H3,(H,10,11,12)/b4-3+
InChIKeyQXCSULHREJSVPR-ONEGZZNKSA-N
MW180.21 g/mol
LogP0.69
Rot. Bonds3

About O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine

O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine (PubChem CID 118972868) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine
PubChem CID118972868
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameO-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine
SMILESCNc1ncnc(/C=C/ON)c1C
InChIInChI=1S/C8H12N4O/c1-6-7(3-4-13-9)11-5-12-8(6)10-2/h3-5H,9H2,1-2H3,(H,10,11,12)/b4-3+
InChIKeyQXCSULHREJSVPR-ONEGZZNKSA-N
XLogP0.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine?
The IUPAC name of O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine (CID 118972868) is O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine.
What is the SMILES notation for O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine?
The canonical SMILES for O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine is CNc1ncnc(/C=C/ON)c1C.
What is the InChIKey of O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine?
The InChIKey is QXCSULHREJSVPR-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6-7(3-4-13-9)11-5-12-8(6)10-2/h3-5H,9H2,1-2H3,(H,10,11,12)/b4-3+.
What are the key properties of O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine?
O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine has a molecular weight of 180.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine is sourced from PubChem (CID 118972868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).