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

C11H14F3N3 — CID 70937969

IUPAC6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)(C)N1Cc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H14F3N3/c1-10(2,3)17-5-7-4-15-9(11(12,13)14)16-8(7)6-17/h4H,5-6H2,1-3H3
InChIKeyOLIBUPMSCHFVHK-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.61
Rot. Bonds

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

6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 70937969) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID70937969
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)(C)N1Cc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H14F3N3/c1-10(2,3)17-5-7-4-15-9(11(12,13)14)16-8(7)6-17/h4H,5-6H2,1-3H3
InChIKeyOLIBUPMSCHFVHK-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 70937969) is 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine is CC(C)(C)N1Cc2cnc(C(F)(F)F)nc2C1.
What is the InChIKey of 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is OLIBUPMSCHFVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-10(2,3)17-5-7-4-15-9(11(12,13)14)16-8(7)6-17/h4H,5-6H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 70937969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).