N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine

C11H10BrN3O — CID 755301

IUPACN-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine
SMILESCc1cc(NO)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H10BrN3O/c1-7-6-10(15-16)14-11(13-7)8-2-4-9(12)5-3-8/h2-6,16H,1H3,(H,13,14,15)
InChIKeyBWZKTBHMPVLJSS-UHFFFAOYSA-N
MW280.13 g/mol
LogP3.02
Rot. Bonds2

About N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine

N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine (PubChem CID 755301) has the molecular formula C11H10BrN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine
PubChem CID755301
Molecular FormulaC11H10BrN3O
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC NameN-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine
SMILESCc1cc(NO)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H10BrN3O/c1-7-6-10(15-16)14-11(13-7)8-2-4-9(12)5-3-8/h2-6,16H,1H3,(H,13,14,15)
InChIKeyBWZKTBHMPVLJSS-UHFFFAOYSA-N
XLogP3.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine?
The IUPAC name of N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine (CID 755301) is N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine.
What is the SMILES notation for N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine?
The canonical SMILES for N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine is Cc1cc(NO)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine?
The InChIKey is BWZKTBHMPVLJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-6-10(15-16)14-11(13-7)8-2-4-9(12)5-3-8/h2-6,16H,1H3,(H,13,14,15).
What are the key properties of N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine?
N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine has a molecular weight of 280.13 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine is sourced from PubChem (CID 755301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).