3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C11H13BrN4O — CID 21067055

IUPAC3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCOCC2)nc2c(Br)cnn12
InChIInChI=1S/C11H13BrN4O/c12-8-6-14-16-10(13)5-9(15-11(8)16)7-1-3-17-4-2-7/h5-7H,1-4,13H2
InChIKeyLOANAERYQURYJR-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.97
Rot. Bonds1

About 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21067055) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21067055
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCOCC2)nc2c(Br)cnn12
InChIInChI=1S/C11H13BrN4O/c12-8-6-14-16-10(13)5-9(15-11(8)16)7-1-3-17-4-2-7/h5-7H,1-4,13H2
InChIKeyLOANAERYQURYJR-UHFFFAOYSA-N
XLogP1.97
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21067055) is 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CCOCC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LOANAERYQURYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-8-6-14-16-10(13)5-9(15-11(8)16)7-1-3-17-4-2-7/h5-7H,1-4,13H2.
What are the key properties of 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21067055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).