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

C10H13F2N3O — CID 103151407

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)COCCc1ncc2c(n1)CNC2
InChIInChI=1S/C10H13F2N3O/c11-9(12)6-16-2-1-10-14-4-7-3-13-5-8(7)15-10/h4,9,13H,1-3,5-6H2
InChIKeySDOWAZIIKCYQOP-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.90
Rot. Bonds5

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

2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 103151407) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID103151407
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)COCCc1ncc2c(n1)CNC2
InChIInChI=1S/C10H13F2N3O/c11-9(12)6-16-2-1-10-14-4-7-3-13-5-8(7)15-10/h4,9,13H,1-3,5-6H2
InChIKeySDOWAZIIKCYQOP-UHFFFAOYSA-N
XLogP0.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 103151407) is 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is FC(F)COCCc1ncc2c(n1)CNC2.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is SDOWAZIIKCYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-9(12)6-16-2-1-10-14-4-7-3-13-5-8(7)15-10/h4,9,13H,1-3,5-6H2.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 229.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 103151407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).