2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C8H9F2N3O — CID 59487102

IUPAC2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)COc1ncc2c(n1)CNC2
InChIInChI=1S/C8H9F2N3O/c9-7(10)4-14-8-12-2-5-1-11-3-6(5)13-8/h2,7,11H,1,3-4H2
InChIKeyORZJKQXDOLCDQP-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.72
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 59487102) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID59487102
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)COc1ncc2c(n1)CNC2
InChIInChI=1S/C8H9F2N3O/c9-7(10)4-14-8-12-2-5-1-11-3-6(5)13-8/h2,7,11H,1,3-4H2
InChIKeyORZJKQXDOLCDQP-UHFFFAOYSA-N
XLogP0.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 59487102) is 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is FC(F)COc1ncc2c(n1)CNC2.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is ORZJKQXDOLCDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-7(10)4-14-8-12-2-5-1-11-3-6(5)13-8/h2,7,11H,1,3-4H2.
What are the key properties of 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 201.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 59487102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).