5-bromo-2-piperazin-1-ylpyrimidine;ethane

C10H17BrN4 — CID 143817069

IUPAC5-bromo-2-piperazin-1-ylpyrimidine;ethane
SMILESBrc1cnc(N2CCNCC2)nc1.CC
InChIInChI=1S/C8H11BrN4.C2H6/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;1-2/h5-6,10H,1-4H2;1-2H3
InChIKeyXQCKWZRNLWSCBM-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.67
Rot. Bonds1

About 5-bromo-2-piperazin-1-ylpyrimidine;ethane

5-bromo-2-piperazin-1-ylpyrimidine;ethane (PubChem CID 143817069) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 5-bromo-2-piperazin-1-ylpyrimidine;ethane.

Molecular Properties

Compound Name5-bromo-2-piperazin-1-ylpyrimidine;ethane
PubChem CID143817069
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name5-bromo-2-piperazin-1-ylpyrimidine;ethane
SMILESBrc1cnc(N2CCNCC2)nc1.CC
InChIInChI=1S/C8H11BrN4.C2H6/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;1-2/h5-6,10H,1-4H2;1-2H3
InChIKeyXQCKWZRNLWSCBM-UHFFFAOYSA-N
XLogP1.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
5-Bromo-2-(piperidin-1-yl)pyrimidine
CID 3614682
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
5-Bromo-N-methylpyrimidin-2-amine
CID 13098184
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
5-Bromo-N,N-dimethylpyrimidin-2-amine
CID 12735315
(2,2-Dimethyl-propyl)-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-piperazin-1-ylpyrimidine;ethane?
The IUPAC name of 5-bromo-2-piperazin-1-ylpyrimidine;ethane (CID 143817069) is 5-bromo-2-piperazin-1-ylpyrimidine;ethane.
What is the SMILES notation for 5-bromo-2-piperazin-1-ylpyrimidine;ethane?
The canonical SMILES for 5-bromo-2-piperazin-1-ylpyrimidine;ethane is Brc1cnc(N2CCNCC2)nc1.CC.
What is the InChIKey of 5-bromo-2-piperazin-1-ylpyrimidine;ethane?
The InChIKey is XQCKWZRNLWSCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4.C2H6/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;1-2/h5-6,10H,1-4H2;1-2H3.
What are the key properties of 5-bromo-2-piperazin-1-ylpyrimidine;ethane?
5-bromo-2-piperazin-1-ylpyrimidine;ethane has a molecular weight of 273.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-piperazin-1-ylpyrimidine;ethane is sourced from PubChem (CID 143817069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).