2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine

C13H14BrN5 — CID 112690429

IUPAC2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
SMILESBrc1cncc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C13H14BrN5/c14-11-8-12(10-15-9-11)18-4-6-19(7-5-18)13-16-2-1-3-17-13/h1-3,8-10H,4-7H2
InChIKeyKXPBUBSRQLVWME-UHFFFAOYSA-N
MW320.19 g/mol
LogP1.96
Rot. Bonds2

About 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine

2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 112690429) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID112690429
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
SMILESBrc1cncc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C13H14BrN5/c14-11-8-12(10-15-9-11)18-4-6-19(7-5-18)13-16-2-1-3-17-13/h1-3,8-10H,4-7H2
InChIKeyKXPBUBSRQLVWME-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-3-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 115657257
N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine
CID 104532011
1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
CID 113234116
1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112695175
1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine
CID 115620485
2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 82225033
3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
CID 160523140
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
1-(5-bromo-3-pyridinyl)-4-methylpiperazine;3,5-dibromopyridine;methane;1-methylpiperazine
CID 159974733
1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
CID 133465721
(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109227055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine (CID 112690429) is 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine is Brc1cncc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is KXPBUBSRQLVWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c14-11-8-12(10-15-9-11)18-4-6-19(7-5-18)13-16-2-1-3-17-13/h1-3,8-10H,4-7H2.
What are the key properties of 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine?
2-[4-(5-bromo-3-pyridinyl)piperazin-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 2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 112690429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).