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

C14H16N6O — CID 126591927

IUPAC3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyUEJXELMBDCXXAQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.52
Rot. Bonds3

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

3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126591927) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126591927
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyUEJXELMBDCXXAQ-UHFFFAOYSA-N
XLogP2.52
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126591927) is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UEJXELMBDCXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17).
What are the key properties of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126591927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).