N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C13H17N7O2 — CID 72923021

IUPACN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCc1noc(CCNc2nc(C)nc3c2cnn3C)n1
InChIInChI=1S/C13H17N7O2/c1-8-16-12(9-6-15-20(2)13(9)17-8)14-5-4-11-18-10(7-21-3)19-22-11/h6H,4-5,7H2,1-3H3,(H,14,16,17)
InChIKeyQUFPARMMFYLZEA-UHFFFAOYSA-N
MW303.33 g/mol
LogP0.86
Rot. Bonds6

About N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 72923021) has the molecular formula C13H17N7O2 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID72923021
Molecular FormulaC13H17N7O2
Molecular Weight303.33 g/mol
Exact Mass303.14
IUPAC NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCc1noc(CCNc2nc(C)nc3c2cnn3C)n1
InChIInChI=1S/C13H17N7O2/c1-8-16-12(9-6-15-20(2)13(9)17-8)14-5-4-11-18-10(7-21-3)19-22-11/h6H,4-5,7H2,1-3H3,(H,14,16,17)
InChIKeyQUFPARMMFYLZEA-UHFFFAOYSA-N
XLogP0.86
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 72923021) is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is COCc1noc(CCNc2nc(C)nc3c2cnn3C)n1.
What is the InChIKey of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QUFPARMMFYLZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2/c1-8-16-12(9-6-15-20(2)13(9)17-8)14-5-4-11-18-10(7-21-3)19-22-11/h6H,4-5,7H2,1-3H3,(H,14,16,17).
What are the key properties of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72923021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).