6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C9H11F2N5O — CID 82006619

IUPAC6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(COCC(F)F)nc21
InChIInChI=1S/C9H11F2N5O/c1-16-9-5(2-13-16)8(12)14-7(15-9)4-17-3-6(10)11/h2,6H,3-4H2,1H3,(H2,12,14,15)
InChIKeyOAHWROPSWRTOIY-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.73
Rot. Bonds4

About 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82006619) has the molecular formula C9H11F2N5O and a molecular weight of 243.22 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82006619
Molecular FormulaC9H11F2N5O
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(COCC(F)F)nc21
InChIInChI=1S/C9H11F2N5O/c1-16-9-5(2-13-16)8(12)14-7(15-9)4-17-3-6(10)11/h2,6H,3-4H2,1H3,(H2,12,14,15)
InChIKeyOAHWROPSWRTOIY-UHFFFAOYSA-N
XLogP0.73
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 82006619) is 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(COCC(F)F)nc21.
What is the InChIKey of 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OAHWROPSWRTOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5O/c1-16-9-5(2-13-16)8(12)14-7(15-9)4-17-3-6(10)11/h2,6H,3-4H2,1H3,(H2,12,14,15).
What are the key properties of 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 243.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82006619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).