6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C13H21N5O2 — CID 103490256

IUPAC6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOCC(C)OCc1nc(NC)c2cnn(C)c2n1
InChIInChI=1S/C13H21N5O2/c1-5-19-7-9(2)20-8-11-16-12(14-3)10-6-15-18(4)13(10)17-11/h6,9H,5,7-8H2,1-4H3,(H,14,16,17)
InChIKeyWCYLYXJLPBMFNZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.35
Rot. Bonds7

About 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 103490256) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID103490256
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOCC(C)OCc1nc(NC)c2cnn(C)c2n1
InChIInChI=1S/C13H21N5O2/c1-5-19-7-9(2)20-8-11-16-12(14-3)10-6-15-18(4)13(10)17-11/h6,9H,5,7-8H2,1-4H3,(H,14,16,17)
InChIKeyWCYLYXJLPBMFNZ-UHFFFAOYSA-N
XLogP1.35
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 103490256) is 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CCOCC(C)OCc1nc(NC)c2cnn(C)c2n1.
What is the InChIKey of 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WCYLYXJLPBMFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-5-19-7-9(2)20-8-11-16-12(14-3)10-6-15-18(4)13(10)17-11/h6,9H,5,7-8H2,1-4H3,(H,14,16,17).
What are the key properties of 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103490256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).