6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine

C9H10F3N3 — CID 70938174

IUPAC6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCN1Cc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C9H10F3N3/c1-2-15-4-6-3-13-8(9(10,11)12)14-7(6)5-15/h3H,2,4-5H2,1H3
InChIKeyKLKFQZOUABOYPB-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.83
Rot. Bonds1

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

6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 70938174) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID70938174
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCN1Cc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C9H10F3N3/c1-2-15-4-6-3-13-8(9(10,11)12)14-7(6)5-15/h3H,2,4-5H2,1H3
InChIKeyKLKFQZOUABOYPB-UHFFFAOYSA-N
XLogP1.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 70938174) is 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine is CCN1Cc2cnc(C(F)(F)F)nc2C1.
What is the InChIKey of 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is KLKFQZOUABOYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-2-15-4-6-3-13-8(9(10,11)12)14-7(6)5-15/h3H,2,4-5H2,1H3.
What are the key properties of 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 70938174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).