5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine

C13H21BrN4 — CID 61430226

IUPAC5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine
SMILESCC(C)(C)N1CCN(c2ncc(Br)cc2N)CC1
InChIInChI=1S/C13H21BrN4/c1-13(2,3)18-6-4-17(5-7-18)12-11(15)8-10(14)9-16-12/h8-9H,4-7,15H2,1-3H3
InChIKeyPLICKPSIMVMZPP-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.35
Rot. Bonds1

About 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine

5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine (PubChem CID 61430226) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine
PubChem CID61430226
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine
SMILESCC(C)(C)N1CCN(c2ncc(Br)cc2N)CC1
InChIInChI=1S/C13H21BrN4/c1-13(2,3)18-6-4-17(5-7-18)12-11(15)8-10(14)9-16-12/h8-9H,4-7,15H2,1-3H3
InChIKeyPLICKPSIMVMZPP-UHFFFAOYSA-N
XLogP2.35
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 691156
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1-(5-Bromo-pyridin-2-yl)-3-piperidin-1-ylmethyl-thiourea
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CID 838785
1-(5-Bromo-2-pyridyl)-3-(2-piperazin-1-ylethyl)thiourea
CID 3001802
2-(Piperazin-1-yl)pyridin-3-amine
CID 10397358
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
n-Isobutyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 44546966
2-(4-Methylpiperazin-1-yl)pyridin-3-amine
CID 199808
2-(4-Phenylpiperazin-1-yl)pyridin-3-amine
CID 203478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine (CID 61430226) is 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine is CC(C)(C)N1CCN(c2ncc(Br)cc2N)CC1.
What is the InChIKey of 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is PLICKPSIMVMZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-13(2,3)18-6-4-17(5-7-18)12-11(15)8-10(14)9-16-12/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine?
5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 313.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 61430226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).