3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine

C8H10N4 — CID 22948401

IUPAC3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C)c2c(C)[nH]nc2n1
InChIInChI=1S/C8H10N4/c1-4-7-5(2)11-12-8(7)10-6(3)9-4/h1-3H3,(H,9,10,11,12)
InChIKeyBUBGUDMJEVUACD-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.28
Rot. Bonds

About 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine

3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 22948401) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID22948401
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C)c2c(C)[nH]nc2n1
InChIInChI=1S/C8H10N4/c1-4-7-5(2)11-12-8(7)10-6(3)9-4/h1-3H3,(H,9,10,11,12)
InChIKeyBUBGUDMJEVUACD-UHFFFAOYSA-N
XLogP1.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine (CID 22948401) is 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine is Cc1nc(C)c2c(C)[nH]nc2n1.
What is the InChIKey of 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is BUBGUDMJEVUACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-4-7-5(2)11-12-8(7)10-6(3)9-4/h1-3H3,(H,9,10,11,12).
What are the key properties of 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine?
3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 162.20 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 22948401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).