6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

C8H9BrN4O — CID 133058836

IUPAC6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCCOc1nc(Br)nc2n[nH]c(C)c12
InChIInChI=1S/C8H9BrN4O/c1-3-14-7-5-4(2)12-13-6(5)10-8(9)11-7/h3H2,1-2H3,(H,10,11,12,13)
InChIKeyAZMCLQJUDNFNSN-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.82
Rot. Bonds2

About 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 133058836) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID133058836
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCCOc1nc(Br)nc2n[nH]c(C)c12
InChIInChI=1S/C8H9BrN4O/c1-3-14-7-5-4(2)12-13-6(5)10-8(9)11-7/h3H2,1-2H3,(H,10,11,12,13)
InChIKeyAZMCLQJUDNFNSN-UHFFFAOYSA-N
XLogP1.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (CID 133058836) is 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is CCOc1nc(Br)nc2n[nH]c(C)c12.
What is the InChIKey of 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is AZMCLQJUDNFNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-3-14-7-5-4(2)12-13-6(5)10-8(9)11-7/h3H2,1-2H3,(H,10,11,12,13).
What are the key properties of 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 257.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 133058836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).