2-methylpyrazolo[3,4-d]pyrimidine

C6H6N4 — CID 90961029

IUPAC2-methylpyrazolo[3,4-d]pyrimidine
SMILESCn1cc2cncnc2n1
InChIInChI=1S/C6H6N4/c1-10-3-5-2-7-4-8-6(5)9-10/h2-4H,1H3
InChIKeyHPBAUMKLGYHNTQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.36
Rot. Bonds

About 2-methylpyrazolo[3,4-d]pyrimidine

2-methylpyrazolo[3,4-d]pyrimidine (PubChem CID 90961029) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-methylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methylpyrazolo[3,4-d]pyrimidine
PubChem CID90961029
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name2-methylpyrazolo[3,4-d]pyrimidine
SMILESCn1cc2cncnc2n1
InChIInChI=1S/C6H6N4/c1-10-3-5-2-7-4-8-6(5)9-10/h2-4H,1H3
InChIKeyHPBAUMKLGYHNTQ-UHFFFAOYSA-N
XLogP0.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 2-methylpyrazolo[3,4-d]pyrimidine (CID 90961029) is 2-methylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-methylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 2-methylpyrazolo[3,4-d]pyrimidine is Cn1cc2cncnc2n1.
What is the InChIKey of 2-methylpyrazolo[3,4-d]pyrimidine?
The InChIKey is HPBAUMKLGYHNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-10-3-5-2-7-4-8-6(5)9-10/h2-4H,1H3.
What are the key properties of 2-methylpyrazolo[3,4-d]pyrimidine?
2-methylpyrazolo[3,4-d]pyrimidine has a molecular weight of 134.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 90961029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).