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

C9H11F2N3O — CID 88968490

IUPAC2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCN1Cc2cnc(OCC(F)F)nc2C1
InChIInChI=1S/C9H11F2N3O/c1-14-3-6-2-12-9(13-7(6)4-14)15-5-8(10)11/h2,8H,3-5H2,1H3
InChIKeyYKKGYWDXKYQHIM-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.07
Rot. Bonds3

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

2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 88968490) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID88968490
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCN1Cc2cnc(OCC(F)F)nc2C1
InChIInChI=1S/C9H11F2N3O/c1-14-3-6-2-12-9(13-7(6)4-14)15-5-8(10)11/h2,8H,3-5H2,1H3
InChIKeyYKKGYWDXKYQHIM-UHFFFAOYSA-N
XLogP1.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.07
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?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 88968490) is 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CN1Cc2cnc(OCC(F)F)nc2C1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is YKKGYWDXKYQHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-14-3-6-2-12-9(13-7(6)4-14)15-5-8(10)11/h2,8H,3-5H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 215.20 g/mol, XLogP of 1.07, 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 is sourced from PubChem (CID 88968490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).