6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine

C10H11BrN6 — CID 53467183

IUPAC6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(N2CCC2)c1Br
InChIInChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15)
InChIKeyBBAXFDLDZBPZRN-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.22
Rot. Bonds2

About 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine

6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 53467183) has the molecular formula C10H11BrN6 and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
PubChem CID53467183
Molecular FormulaC10H11BrN6
Molecular Weight295.14 g/mol
Exact Mass294.02
IUPAC Name6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(N2CCC2)c1Br
InChIInChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15)
InChIKeyBBAXFDLDZBPZRN-UHFFFAOYSA-N
XLogP1.22
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine (CID 53467183) is 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine is Nc1nc(-n2cccn2)nc(N2CCC2)c1Br.
What is the InChIKey of 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is BBAXFDLDZBPZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15).
What are the key properties of 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine?
6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 295.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53467183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).