6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine

C7H6BrN3O — CID 126838623

IUPAC6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine
SMILESCOc1cc2ncc(Br)cn2n1
InChIInChI=1S/C7H6BrN3O/c1-12-7-2-6-9-3-5(8)4-11(6)10-7/h2-4H,1H3
InChIKeyAYNNAKQRJCXWKD-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.50
Rot. Bonds1

About 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine

6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine (PubChem CID 126838623) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine
PubChem CID126838623
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine
SMILESCOc1cc2ncc(Br)cn2n1
InChIInChI=1S/C7H6BrN3O/c1-12-7-2-6-9-3-5(8)4-11(6)10-7/h2-4H,1H3
InChIKeyAYNNAKQRJCXWKD-UHFFFAOYSA-N
XLogP1.50
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine (CID 126838623) is 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine is COc1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine?
The InChIKey is AYNNAKQRJCXWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-12-7-2-6-9-3-5(8)4-11(6)10-7/h2-4H,1H3.
What are the key properties of 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine?
6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine has a molecular weight of 228.05 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126838623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).