2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C9H9F3N4O2 — CID 129079854

IUPAC2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2cc(=O)ncn2CCN1NCC(F)(F)F
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)4-14-16-2-1-15-5-13-7(17)3-6(15)8(16)18/h3,5,14H,1-2,4H2
InChIKeyKJNZDRZRDQLVHN-UHFFFAOYSA-N
MW262.19 g/mol
LogP-0.23
Rot. Bonds2

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

2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 129079854) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID129079854
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC Name2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2cc(=O)ncn2CCN1NCC(F)(F)F
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)4-14-16-2-1-15-5-13-7(17)3-6(15)8(16)18/h3,5,14H,1-2,4H2
InChIKeyKJNZDRZRDQLVHN-UHFFFAOYSA-N
XLogP-0.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 129079854) is 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is O=C1c2cc(=O)ncn2CCN1NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is KJNZDRZRDQLVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c10-9(11,12)4-14-16-2-1-15-5-13-7(17)3-6(15)8(16)18/h3,5,14H,1-2,4H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 262.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 129079854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).