2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane

C13H23F2N3O — CID 145047492

IUPAC2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane
SMILESCC.CC.CN1Cc2cnc(OCC(F)F)nc2C1
InChIInChI=1S/C9H11F2N3O.2C2H6/c1-14-3-6-2-12-9(13-7(6)4-14)15-5-8(10)11;2*1-2/h2,8H,3-5H2,1H3;2*1-2H3
InChIKeyGUZDKWWNHFKMMS-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.12
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane

2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane (PubChem CID 145047492) has the molecular formula C13H23F2N3O and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane
PubChem CID145047492
Molecular FormulaC13H23F2N3O
Molecular Weight275.34 g/mol
Exact Mass275.18
IUPAC Name2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane
SMILESCC.CC.CN1Cc2cnc(OCC(F)F)nc2C1
InChIInChI=1S/C9H11F2N3O.2C2H6/c1-14-3-6-2-12-9(13-7(6)4-14)15-5-8(10)11;2*1-2/h2,8H,3-5H2,1H3;2*1-2H3
InChIKeyGUZDKWWNHFKMMS-UHFFFAOYSA-N
XLogP3.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane (CID 145047492) is 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane is CC.CC.CN1Cc2cnc(OCC(F)F)nc2C1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane?
The InChIKey is GUZDKWWNHFKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O.2C2H6/c1-14-3-6-2-12-9(13-7(6)4-14)15-5-8(10)11;2*1-2/h2,8H,3-5H2,1H3;2*1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane?
2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane has a molecular weight of 275.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane is sourced from PubChem (CID 145047492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).