2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C11H14F3N3O — CID 114739972

IUPAC2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC(C)(C)c1nc2c(c(C(F)(F)F)n1)CNC2
InChIInChI=1S/C11H14F3N3O/c1-10(2,18-3)9-16-7-5-15-4-6(7)8(17-9)11(12,13)14/h15H,4-5H2,1-3H3
InChIKeyAFEYKQUJIYTFNL-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.98
Rot. Bonds2

About 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739972) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739972
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC(C)(C)c1nc2c(c(C(F)(F)F)n1)CNC2
InChIInChI=1S/C11H14F3N3O/c1-10(2,18-3)9-16-7-5-15-4-6(7)8(17-9)11(12,13)14/h15H,4-5H2,1-3H3
InChIKeyAFEYKQUJIYTFNL-UHFFFAOYSA-N
XLogP1.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739972) is 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COC(C)(C)c1nc2c(c(C(F)(F)F)n1)CNC2.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is AFEYKQUJIYTFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-10(2,18-3)9-16-7-5-15-4-6(7)8(17-9)11(12,13)14/h15H,4-5H2,1-3H3.
What are the key properties of 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).