2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

C15H18F3N5O2 — CID 68964036

IUPAC2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)c1nc(N2CCN(CC(F)(F)F)C(=O)C2)nc2c1CNC2=O
InChIInChI=1S/C15H18F3N5O2/c1-8(2)11-9-5-19-13(25)12(9)21-14(20-11)22-3-4-23(10(24)6-22)7-15(16,17)18/h8H,3-7H2,1-2H3,(H,19,25)
InChIKeyJMOVIJUYEZAANN-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.05
Rot. Bonds3

About 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 68964036) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
PubChem CID68964036
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)c1nc(N2CCN(CC(F)(F)F)C(=O)C2)nc2c1CNC2=O
InChIInChI=1S/C15H18F3N5O2/c1-8(2)11-9-5-19-13(25)12(9)21-14(20-11)22-3-4-23(10(24)6-22)7-15(16,17)18/h8H,3-7H2,1-2H3,(H,19,25)
InChIKeyJMOVIJUYEZAANN-UHFFFAOYSA-N
XLogP1.05
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (CID 68964036) is 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is CC(C)c1nc(N2CCN(CC(F)(F)F)C(=O)C2)nc2c1CNC2=O.
What is the InChIKey of 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is JMOVIJUYEZAANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-8(2)11-9-5-19-13(25)12(9)21-14(20-11)22-3-4-23(10(24)6-22)7-15(16,17)18/h8H,3-7H2,1-2H3,(H,19,25).
What are the key properties of 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 357.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-propan-2-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 68964036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).