3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine

C8H9BrN4 — CID 83669783

IUPAC3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine
SMILESCCc1nn2cc(N)cnc2c1Br
InChIInChI=1S/C8H9BrN4/c1-2-6-7(9)8-11-3-5(10)4-13(8)12-6/h3-4H,2,10H2,1H3
InChIKeyPEXQJOPKUMSCMM-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.64
Rot. Bonds1

About 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine

3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 83669783) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID83669783
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine
SMILESCCc1nn2cc(N)cnc2c1Br
InChIInChI=1S/C8H9BrN4/c1-2-6-7(9)8-11-3-5(10)4-13(8)12-6/h3-4H,2,10H2,1H3
InChIKeyPEXQJOPKUMSCMM-UHFFFAOYSA-N
XLogP1.64
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine (CID 83669783) is 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine is CCc1nn2cc(N)cnc2c1Br.
What is the InChIKey of 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is PEXQJOPKUMSCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-2-6-7(9)8-11-3-5(10)4-13(8)12-6/h3-4H,2,10H2,1H3.
What are the key properties of 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine?
3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 241.09 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 83669783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).