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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Related Compounds

Taminadenant
CID 53466958
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
5-Bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 53466961
5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53466962
5-Bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467179
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182
5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467184
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467187
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
5-bromo-4-N-(cyclopropylmethyl)-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467625
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
4-bromo-1-(pyrimidin-2-yl)-1H-pyrazol-3-amine
CID 61176054

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).