6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

C11H12BrN3O — CID 58316710

IUPAC6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESBrc1cnc2cc(C3CCOCC3)nn2c1
InChIInChI=1S/C11H12BrN3O/c12-9-6-13-11-5-10(14-15(11)7-9)8-1-3-16-4-2-8/h5-8H,1-4H2
InChIKeyTYYZCRAWTJJUAQ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.39
Rot. Bonds1

About 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 58316710) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID58316710
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESBrc1cnc2cc(C3CCOCC3)nn2c1
InChIInChI=1S/C11H12BrN3O/c12-9-6-13-11-5-10(14-15(11)7-9)8-1-3-16-4-2-8/h5-8H,1-4H2
InChIKeyTYYZCRAWTJJUAQ-UHFFFAOYSA-N
XLogP2.39
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (CID 58316710) is 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is Brc1cnc2cc(C3CCOCC3)nn2c1.
What is the InChIKey of 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is TYYZCRAWTJJUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-6-13-11-5-10(14-15(11)7-9)8-1-3-16-4-2-8/h5-8H,1-4H2.
What are the key properties of 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 282.14 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58316710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).