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

C11H12N6O — CID 126592026

IUPAC3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccon2)c2c(N)ncnc21
InChIInChI=1S/C11H12N6O/c1-6(2)17-11-8(10(12)13-5-14-11)9(15-17)7-3-4-18-16-7/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyXDCYXAKOLDNLEM-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.64
Rot. Bonds2

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

3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592026) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592026
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccon2)c2c(N)ncnc21
InChIInChI=1S/C11H12N6O/c1-6(2)17-11-8(10(12)13-5-14-11)9(15-17)7-3-4-18-16-7/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyXDCYXAKOLDNLEM-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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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinamine
CID 68642339
5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 68643387
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methylpyrimidin-4-amine
CID 90446443
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591726
1-Propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126591906
3-(5-Cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591909
1-[4-Amino-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
CID 126591918
1-Cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126591922
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591927
3-(5-Cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592010
3-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592018
3-(5-Benzyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592021

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126592026) is 3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccon2)c2c(N)ncnc21.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XDCYXAKOLDNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-6(2)17-11-8(10(12)13-5-14-11)9(15-17)7-3-4-18-16-7/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 3-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1,2-oxazol-3-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-(1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).