[3-(5-bromopyrimidin-2-yl)phenyl]methanamine

C11H10BrN3 — CID 58289741

IUPAC[3-(5-bromopyrimidin-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2ncc(Br)cn2)c1
InChIInChI=1S/C11H10BrN3/c12-10-6-14-11(15-7-10)9-3-1-2-8(4-9)5-13/h1-4,6-7H,5,13H2
InChIKeyXQYPJXZEBDBJKA-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.36
Rot. Bonds2

About [3-(5-bromopyrimidin-2-yl)phenyl]methanamine

[3-(5-bromopyrimidin-2-yl)phenyl]methanamine (PubChem CID 58289741) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is [3-(5-bromopyrimidin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-bromopyrimidin-2-yl)phenyl]methanamine
PubChem CID58289741
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name[3-(5-bromopyrimidin-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2ncc(Br)cn2)c1
InChIInChI=1S/C11H10BrN3/c12-10-6-14-11(15-7-10)9-3-1-2-8(4-9)5-13/h1-4,6-7H,5,13H2
InChIKeyXQYPJXZEBDBJKA-UHFFFAOYSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromopyrimidin-2-yl)phenyl]methanamine?
The IUPAC name of [3-(5-bromopyrimidin-2-yl)phenyl]methanamine (CID 58289741) is [3-(5-bromopyrimidin-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-bromopyrimidin-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-bromopyrimidin-2-yl)phenyl]methanamine is NCc1cccc(-c2ncc(Br)cn2)c1.
What is the InChIKey of [3-(5-bromopyrimidin-2-yl)phenyl]methanamine?
The InChIKey is XQYPJXZEBDBJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c12-10-6-14-11(15-7-10)9-3-1-2-8(4-9)5-13/h1-4,6-7H,5,13H2.
What are the key properties of [3-(5-bromopyrimidin-2-yl)phenyl]methanamine?
[3-(5-bromopyrimidin-2-yl)phenyl]methanamine has a molecular weight of 264.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromopyrimidin-2-yl)phenyl]methanamine is sourced from PubChem (CID 58289741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).