5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine

C12H15BrN6 — CID 53467179

IUPAC5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(N2CCCCC2)c1Br
InChIInChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17)
InChIKeyJJVSQYWMMZXTGT-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.00
Rot. Bonds2

About 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine

5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 53467179) has the molecular formula C12H15BrN6 and a molecular weight of 323.20 g/mol. Its IUPAC name is 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine
PubChem CID53467179
Molecular FormulaC12H15BrN6
Molecular Weight323.20 g/mol
Exact Mass322.05
IUPAC Name5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(N2CCCCC2)c1Br
InChIInChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17)
InChIKeyJJVSQYWMMZXTGT-UHFFFAOYSA-N
XLogP2.00
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine (CID 53467179) is 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine is Nc1nc(-n2cccn2)nc(N2CCCCC2)c1Br.
What is the InChIKey of 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is JJVSQYWMMZXTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17).
What are the key properties of 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine?
5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 323.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53467179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).