3-methoxy-1H-pyrazolo[3,4-d]pyrimidine

C6H6N4O — CID 141301287

IUPAC3-methoxy-1H-pyrazolo[3,4-d]pyrimidine
SMILESCOc1n[nH]c2ncncc12
InChIInChI=1S/C6H6N4O/c1-11-6-4-2-7-3-8-5(4)9-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKeyVTFUHNSNSBJORG-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.36
Rot. Bonds1

About 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine

3-methoxy-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 141301287) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-methoxy-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID141301287
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3-methoxy-1H-pyrazolo[3,4-d]pyrimidine
SMILESCOc1n[nH]c2ncncc12
InChIInChI=1S/C6H6N4O/c1-11-6-4-2-7-3-8-5(4)9-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKeyVTFUHNSNSBJORG-UHFFFAOYSA-N
XLogP0.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine (CID 141301287) is 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine is COc1n[nH]c2ncncc12.
What is the InChIKey of 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is VTFUHNSNSBJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-11-6-4-2-7-3-8-5(4)9-10-6/h2-3H,1H3,(H,7,8,9,10).
What are the key properties of 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine?
3-methoxy-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 150.14 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 141301287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).