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

C10H13F2N5O — CID 82006493

IUPAC6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(COCC(F)F)nc2c1cnn2C
InChIInChI=1S/C10H13F2N5O/c1-13-9-6-3-14-17(2)10(6)16-8(15-9)5-18-4-7(11)12/h3,7H,4-5H2,1-2H3,(H,13,15,16)
InChIKeyAVJCLEMGUBKVIM-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.19
Rot. Bonds5

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

6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82006493) has the molecular formula C10H13F2N5O and a molecular weight of 257.24 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82006493
Molecular FormulaC10H13F2N5O
Molecular Weight257.24 g/mol
Exact Mass257.11
IUPAC Name6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(COCC(F)F)nc2c1cnn2C
InChIInChI=1S/C10H13F2N5O/c1-13-9-6-3-14-17(2)10(6)16-8(15-9)5-18-4-7(11)12/h3,7H,4-5H2,1-2H3,(H,13,15,16)
InChIKeyAVJCLEMGUBKVIM-UHFFFAOYSA-N
XLogP1.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 82006493) is 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(COCC(F)F)nc2c1cnn2C.
What is the InChIKey of 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AVJCLEMGUBKVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O/c1-13-9-6-3-14-17(2)10(6)16-8(15-9)5-18-4-7(11)12/h3,7H,4-5H2,1-2H3,(H,13,15,16).
What are the key properties of 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 257.24 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82006493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).