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

C9H10F3N3O — CID 143529895

IUPAC6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCN1Cc2cnc(OCC(F)(F)F)nc2C1
InChIInChI=1S/C9H10F3N3O/c1-15-3-6-2-13-8(14-7(6)4-15)16-5-9(10,11)12/h2H,3-5H2,1H3
InChIKeyRIEKLVLNRIMKGW-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.36
Rot. Bonds2

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

6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 143529895) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID143529895
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCN1Cc2cnc(OCC(F)(F)F)nc2C1
InChIInChI=1S/C9H10F3N3O/c1-15-3-6-2-13-8(14-7(6)4-15)16-5-9(10,11)12/h2H,3-5H2,1H3
InChIKeyRIEKLVLNRIMKGW-UHFFFAOYSA-N
XLogP1.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 143529895) is 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine is CN1Cc2cnc(OCC(F)(F)F)nc2C1.
What is the InChIKey of 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is RIEKLVLNRIMKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-15-3-6-2-13-8(14-7(6)4-15)16-5-9(10,11)12/h2H,3-5H2,1H3.
What are the key properties of 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 233.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 143529895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).