3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione

C9H9F3N4O2 — CID 129079856

IUPAC3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1NC(NCC(F)(F)F)Cn2cnc(=O)cc21
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)3-13-6-2-16-4-14-7(17)1-5(16)8(18)15-6/h1,4,6,13H,2-3H2,(H,15,18)
InChIKeyJAKYXPDFOVXPIU-UHFFFAOYSA-N
MW262.19 g/mol
LogP-0.54
Rot. Bonds2

About 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione

3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 129079856) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID129079856
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC Name3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1NC(NCC(F)(F)F)Cn2cnc(=O)cc21
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)3-13-6-2-16-4-14-7(17)1-5(16)8(18)15-6/h1,4,6,13H,2-3H2,(H,15,18)
InChIKeyJAKYXPDFOVXPIU-UHFFFAOYSA-N
XLogP-0.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione (CID 129079856) is 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione is O=C1NC(NCC(F)(F)F)Cn2cnc(=O)cc21.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is JAKYXPDFOVXPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c10-9(11,12)3-13-6-2-16-4-14-7(17)1-5(16)8(18)15-6/h1,4,6,13H,2-3H2,(H,15,18).
What are the key properties of 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 262.19 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 129079856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).