2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C8H8BrN3 — CID 76852212

IUPAC2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(Br)cc2n1
InChIInChI=1S/C8H8BrN3/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3
InChIKeyYYABKGZMJUSQEV-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.11
Rot. Bonds

About 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine

2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 76852212) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID76852212
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(Br)cc2n1
InChIInChI=1S/C8H8BrN3/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3
InChIKeyYYABKGZMJUSQEV-UHFFFAOYSA-N
XLogP2.11
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
3-Bromo-5,7-dimethylpyrazolo(1,5-a)pyrimidine
CID 198235
Pyrazolo(1.5-a)pyrimidine, 5,7-dimethyl-3-iodo-
CID 206164
5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 28063903
5,7-Dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-amine
CID 267310
2-(3,5-Dimethyl-pyrazol-1-YL)-4,6-dimethyl-pyrimidine
CID 3401968
2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 3611062
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-2-amine
CID 742814
3-Bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 2323996
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 76852212) is 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(Br)cc2n1.
What is the InChIKey of 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YYABKGZMJUSQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3.
What are the key properties of 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 226.08 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 76852212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).