3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C13H16N6O — CID 126592367

IUPAC3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1cc(-c2nn(C(C)C)c3ncnc(N)c23)no1
InChIInChI=1S/C13H16N6O/c1-4-8-5-9(18-20-8)11-10-12(14)15-6-16-13(10)19(17-11)7(2)3/h5-7H,4H2,1-3H3,(H2,14,15,16)
InChIKeyIXIOODGNPWABRK-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.21
Rot. Bonds3

About 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592367) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592367
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1cc(-c2nn(C(C)C)c3ncnc(N)c23)no1
InChIInChI=1S/C13H16N6O/c1-4-8-5-9(18-20-8)11-10-12(14)15-6-16-13(10)19(17-11)7(2)3/h5-7H,4H2,1-3H3,(H2,14,15,16)
InChIKeyIXIOODGNPWABRK-UHFFFAOYSA-N
XLogP2.21
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[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 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126592367) is 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1cc(-c2nn(C(C)C)c3ncnc(N)c23)no1.
What is the InChIKey of 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IXIOODGNPWABRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-4-8-5-9(18-20-8)11-10-12(14)15-6-16-13(10)19(17-11)7(2)3/h5-7H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).