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

C11H14F3N3O — CID 59487100

IUPAC6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)N1Cc2cnc(OCC(F)(F)F)nc2C1
InChIInChI=1S/C11H14F3N3O/c1-7(2)17-4-8-3-15-10(16-9(8)5-17)18-6-11(12,13)14/h3,7H,4-6H2,1-2H3
InChIKeyDACUFZVLVVXQOC-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.14
Rot. Bonds3

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

6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 59487100) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID59487100
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)N1Cc2cnc(OCC(F)(F)F)nc2C1
InChIInChI=1S/C11H14F3N3O/c1-7(2)17-4-8-3-15-10(16-9(8)5-17)18-6-11(12,13)14/h3,7H,4-6H2,1-2H3
InChIKeyDACUFZVLVVXQOC-UHFFFAOYSA-N
XLogP2.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 59487100) is 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine is CC(C)N1Cc2cnc(OCC(F)(F)F)nc2C1.
What is the InChIKey of 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is DACUFZVLVVXQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7(2)17-4-8-3-15-10(16-9(8)5-17)18-6-11(12,13)14/h3,7H,4-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 59487100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).