6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one

C11H17N5O — CID 135702340

IUPAC6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCNc1c2c(=O)[nH]c(C(C)(C)C)nc2nn1C
InChIInChI=1S/C11H17N5O/c1-11(2,3)10-13-7-6(9(17)14-10)8(12-4)16(5)15-7/h12H,1-5H3,(H,13,14,15,17)
InChIKeyGGMVFLBJQWECBR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.00
Rot. Bonds1

About 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one

6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702340) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702340
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCNc1c2c(=O)[nH]c(C(C)(C)C)nc2nn1C
InChIInChI=1S/C11H17N5O/c1-11(2,3)10-13-7-6(9(17)14-10)8(12-4)16(5)15-7/h12H,1-5H3,(H,13,14,15,17)
InChIKeyGGMVFLBJQWECBR-UHFFFAOYSA-N
XLogP1.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one 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 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702340) is 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one is CNc1c2c(=O)[nH]c(C(C)(C)C)nc2nn1C.
What is the InChIKey of 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is GGMVFLBJQWECBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2,3)10-13-7-6(9(17)14-10)8(12-4)16(5)15-7/h12H,1-5H3,(H,13,14,15,17).
What are the key properties of 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).