(NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine

C6H6BrN3O — CID 137229568

IUPAC(NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine
SMILESCc1nc(Br)cc(/C=N\O)n1
InChIInChI=1S/C6H6BrN3O/c1-4-9-5(3-8-11)2-6(7)10-4/h2-3,11H,1H3/b8-3-
InChIKeyLJMMCAUWCUGGBE-BAQGIRSFSA-N
MW216.04 g/mol
LogP1.36
Rot. Bonds1

About (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine

(NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine (PubChem CID 137229568) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine
PubChem CID137229568
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name(NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine
SMILESCc1nc(Br)cc(/C=N\O)n1
InChIInChI=1S/C6H6BrN3O/c1-4-9-5(3-8-11)2-6(7)10-4/h2-3,11H,1H3/b8-3-
InChIKeyLJMMCAUWCUGGBE-BAQGIRSFSA-N
XLogP1.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine (CID 137229568) is (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine is Cc1nc(Br)cc(/C=N\O)n1.
What is the InChIKey of (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine?
The InChIKey is LJMMCAUWCUGGBE-BAQGIRSFSA-N. The full InChI is InChI=1S/C6H6BrN3O/c1-4-9-5(3-8-11)2-6(7)10-4/h2-3,11H,1H3/b8-3-.
What are the key properties of (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine?
(NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine has a molecular weight of 216.04 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 137229568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).