6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C18H26N6O — CID 56889214

IUPAC6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cc1cc(CNc2nc(C(C)(C)C)nc3c2cnn3C)no1
InChIInChI=1S/C18H26N6O/c1-11(2)7-13-8-12(23-25-13)9-19-15-14-10-20-24(6)16(14)22-17(21-15)18(3,4)5/h8,10-11H,7,9H2,1-6H3,(H,19,21,22)
InChIKeyDYOVEAFNYOXCRF-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.46
Rot. Bonds5

About 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56889214) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56889214
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cc1cc(CNc2nc(C(C)(C)C)nc3c2cnn3C)no1
InChIInChI=1S/C18H26N6O/c1-11(2)7-13-8-12(23-25-13)9-19-15-14-10-20-24(6)16(14)22-17(21-15)18(3,4)5/h8,10-11H,7,9H2,1-6H3,(H,19,21,22)
InChIKeyDYOVEAFNYOXCRF-UHFFFAOYSA-N
XLogP3.46
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 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-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56889214) is 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Cc1cc(CNc2nc(C(C)(C)C)nc3c2cnn3C)no1.
What is the InChIKey of 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DYOVEAFNYOXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-11(2)7-13-8-12(23-25-13)9-19-15-14-10-20-24(6)16(14)22-17(21-15)18(3,4)5/h8,10-11H,7,9H2,1-6H3,(H,19,21,22).
What are the key properties of 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56889214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).