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

C11H12N6O — CID 175850012

IUPAC3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cnco2)c2c(N)ncnc21
InChIInChI=1S/C11H12N6O/c1-6(2)17-11-8(10(12)14-4-15-11)9(16-17)7-3-13-5-18-7/h3-6H,1-2H3,(H2,12,14,15)
InChIKeySLMVGVJODNXHSC-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.64
Rot. Bonds2

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

3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 175850012) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID175850012
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cnco2)c2c(N)ncnc21
InChIInChI=1S/C11H12N6O/c1-6(2)17-11-8(10(12)14-4-15-11)9(16-17)7-3-13-5-18-7/h3-6H,1-2H3,(H2,12,14,15)
InChIKeySLMVGVJODNXHSC-UHFFFAOYSA-N
XLogP1.64
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 175850012) is 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cnco2)c2c(N)ncnc21.
What is the InChIKey of 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SLMVGVJODNXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-6(2)17-11-8(10(12)14-4-15-11)9(16-17)7-3-13-5-18-7/h3-6H,1-2H3,(H2,12,14,15).
What are the key properties of 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 175850012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).