1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H14F3N5O3 — CID 20707586

IUPAC1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCNN1C(=O)CNc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C15H14F3N5O3/c1-19-23-10-5-8(3-4-9(10)20-7-13(23)25)22-12(24)6-11(15(16,17)18)21(2)14(22)26/h3-6,19-20H,7H2,1-2H3
InChIKeyUVJZWRQSGALZBB-UHFFFAOYSA-N
MW369.30 g/mol
LogP0.45
Rot. Bonds2

About 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione

1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 20707586) has the molecular formula C15H14F3N5O3 and a molecular weight of 369.30 g/mol. Its IUPAC name is 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID20707586
Molecular FormulaC15H14F3N5O3
Molecular Weight369.30 g/mol
Exact Mass369.10
IUPAC Name1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCNN1C(=O)CNc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C15H14F3N5O3/c1-19-23-10-5-8(3-4-9(10)20-7-13(23)25)22-12(24)6-11(15(16,17)18)21(2)14(22)26/h3-6,19-20H,7H2,1-2H3
InChIKeyUVJZWRQSGALZBB-UHFFFAOYSA-N
XLogP0.45
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 20707586) is 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione is CNN1C(=O)CNc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21.
What is the InChIKey of 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is UVJZWRQSGALZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O3/c1-19-23-10-5-8(3-4-9(10)20-7-13(23)25)22-12(24)6-11(15(16,17)18)21(2)14(22)26/h3-6,19-20H,7H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 369.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20707586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).