3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine

C9H12N4 — CID 69248694

IUPAC3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESCC(C)Cc1[nH]nc2ncncc12
InChIInChI=1S/C9H12N4/c1-6(2)3-8-7-4-10-5-11-9(7)13-12-8/h4-6H,3H2,1-2H3,(H,10,11,12,13)
InChIKeyBRAGLNMIJNGVIC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.55
Rot. Bonds2

About 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine

3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 69248694) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID69248694
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESCC(C)Cc1[nH]nc2ncncc12
InChIInChI=1S/C9H12N4/c1-6(2)3-8-7-4-10-5-11-9(7)13-12-8/h4-6H,3H2,1-2H3,(H,10,11,12,13)
InChIKeyBRAGLNMIJNGVIC-UHFFFAOYSA-N
XLogP1.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine (CID 69248694) is 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine is CC(C)Cc1[nH]nc2ncncc12.
What is the InChIKey of 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is BRAGLNMIJNGVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)3-8-7-4-10-5-11-9(7)13-12-8/h4-6H,3H2,1-2H3,(H,10,11,12,13).
What are the key properties of 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine?
3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 69248694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).