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

C11H15F2N3O — CID 59487097

IUPAC2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)N1Cc2cnc(OCC(F)F)nc2C1
InChIInChI=1S/C11H15F2N3O/c1-7(2)16-4-8-3-14-11(15-9(8)5-16)17-6-10(12)13/h3,7,10H,4-6H2,1-2H3
InChIKeyKFMWWWSKERUULS-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.84
Rot. Bonds4

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

2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 59487097) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID59487097
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)N1Cc2cnc(OCC(F)F)nc2C1
InChIInChI=1S/C11H15F2N3O/c1-7(2)16-4-8-3-14-11(15-9(8)5-16)17-6-10(12)13/h3,7,10H,4-6H2,1-2H3
InChIKeyKFMWWWSKERUULS-UHFFFAOYSA-N
XLogP1.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.84
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-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 59487097) is 2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CC(C)N1Cc2cnc(OCC(F)F)nc2C1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is KFMWWWSKERUULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-7(2)16-4-8-3-14-11(15-9(8)5-16)17-6-10(12)13/h3,7,10H,4-6H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2-(2,2-difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 243.26 g/mol, XLogP of 1.84, 4 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-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 59487097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).