5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C13H14BrN5 — CID 66341717

IUPAC5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESBrc1cncnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H14BrN5/c14-11-9-15-10-17-13(11)19-7-5-18(6-8-19)12-3-1-2-4-16-12/h1-4,9-10H,5-8H2
InChIKeyXAZRDRLWEYFBHL-UHFFFAOYSA-N
MW320.19 g/mol
LogP1.96
Rot. Bonds2

About 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 66341717) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID66341717
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESBrc1cncnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H14BrN5/c14-11-9-15-10-17-13(11)19-7-5-18(6-8-19)12-3-1-2-4-16-12/h1-4,9-10H,5-8H2
InChIKeyXAZRDRLWEYFBHL-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 66343054
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079300
1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079304
1-(5-bromopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407437
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19153617
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 66341717) is 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is Brc1cncnc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is XAZRDRLWEYFBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c14-11-9-15-10-17-13(11)19-7-5-18(6-8-19)12-3-1-2-4-16-12/h1-4,9-10H,5-8H2.
What are the key properties of 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 320.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 66341717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).