3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine

C7H7BrN4O — CID 83899530

IUPAC3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1nc(C)nc2c(Br)[nH]nc12
InChIInChI=1S/C7H7BrN4O/c1-3-9-4-5(7(10-3)13-2)11-12-6(4)8/h1-2H3,(H,11,12)
InChIKeyFIUCQZSDIDJHKK-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.43
Rot. Bonds1

About 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine

3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 83899530) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID83899530
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1nc(C)nc2c(Br)[nH]nc12
InChIInChI=1S/C7H7BrN4O/c1-3-9-4-5(7(10-3)13-2)11-12-6(4)8/h1-2H3,(H,11,12)
InChIKeyFIUCQZSDIDJHKK-UHFFFAOYSA-N
XLogP1.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine (CID 83899530) is 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine is COc1nc(C)nc2c(Br)[nH]nc12.
What is the InChIKey of 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is FIUCQZSDIDJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c1-3-9-4-5(7(10-3)13-2)11-12-6(4)8/h1-2H3,(H,11,12).
What are the key properties of 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine?
3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 243.06 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 83899530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).