[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine

C15H18BrN5 — CID 43364922

IUPAC[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1ccc(Br)cc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18BrN5/c16-13-3-2-12(11-17)14(10-13)20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11,17H2
InChIKeyDYOHLTJQULNEGZ-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.02
Rot. Bonds3

About [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine

[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine (PubChem CID 43364922) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
PubChem CID43364922
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1ccc(Br)cc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18BrN5/c16-13-3-2-12(11-17)14(10-13)20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11,17H2
InChIKeyDYOHLTJQULNEGZ-UHFFFAOYSA-N
XLogP2.02
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-2-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43364923
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
CID 62368638
1-[5-bromo-2-(bromomethyl)phenyl]-4-pyridin-2-ylpiperazine
CID 107079309
[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine
CID 63553277
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986174
2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63783031
[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine
CID 105388828
[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 107105483
[5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
CID 114889471
[4-bromo-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742898
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 82514499

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine (CID 43364922) is [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine is NCc1ccc(Br)cc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is DYOHLTJQULNEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c16-13-3-2-12(11-17)14(10-13)20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11,17H2.
What are the key properties of [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 348.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 43364922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).