7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine

C9H12N4O — CID 22948414

IUPAC7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine
SMILESCC(C)COc1ncnc2cn[nH]c12
InChIInChI=1S/C9H12N4O/c1-6(2)4-14-9-8-7(3-12-13-8)10-5-11-9/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyXMTYLJFYLXXABW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.39
Rot. Bonds3

About 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine

7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine (PubChem CID 22948414) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine
PubChem CID22948414
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine
SMILESCC(C)COc1ncnc2cn[nH]c12
InChIInChI=1S/C9H12N4O/c1-6(2)4-14-9-8-7(3-12-13-8)10-5-11-9/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyXMTYLJFYLXXABW-UHFFFAOYSA-N
XLogP1.39
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine (CID 22948414) is 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine is CC(C)COc1ncnc2cn[nH]c12.
What is the InChIKey of 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine?
The InChIKey is XMTYLJFYLXXABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6(2)4-14-9-8-7(3-12-13-8)10-5-11-9/h3,5-6H,4H2,1-2H3,(H,12,13).
What are the key properties of 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine?
7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine has a molecular weight of 192.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropoxy)-1H-pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 22948414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).