1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C16H14F3N3O3 — CID 15989898

IUPAC1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccccc1C(F)(F)F)CC(=O)N2
InChIInChI=1S/C16H14F3N3O3/c1-21-13-12(14(24)22(2)15(21)25)9(7-11(23)20-13)8-5-3-4-6-10(8)16(17,18)19/h3-6,9H,7H2,1-2H3,(H,20,23)
InChIKeyBVYIYXIMXCIUEX-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.58
Rot. Bonds1

About 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 15989898) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID15989898
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccccc1C(F)(F)F)CC(=O)N2
InChIInChI=1S/C16H14F3N3O3/c1-21-13-12(14(24)22(2)15(21)25)9(7-11(23)20-13)8-5-3-4-6-10(8)16(17,18)19/h3-6,9H,7H2,1-2H3,(H,20,23)
InChIKeyBVYIYXIMXCIUEX-UHFFFAOYSA-N
XLogP1.58
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 66550729
6-amino-5-[(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(phenyl)methyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 4670608
5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5299151
5-(2-chlorophenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162452
1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5299313
5-(3-fluorophenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 18866915
1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 22331430
5-[3,5-Bis(trifluoromethyl)phenyl]-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 45266973
5-[(2,4-dioxo-1H-pyrimidin-5-yl)-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 172877262
5-[(2,4-dioxo-1H-pyrimidin-5-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 172877441
5-(4-fluorophenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5302889
5-(4-Fluorophenyl)-1,3,7,9-tetramethyl-5,10-dihydropyrimido[5',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6,8(1h,3h,7h,9h)-tetraone
CID 129767335

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 15989898) is 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c2c(c(=O)n(C)c1=O)C(c1ccccc1C(F)(F)F)CC(=O)N2.
What is the InChIKey of 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is BVYIYXIMXCIUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-21-13-12(14(24)22(2)15(21)25)9(7-11(23)20-13)8-5-3-4-6-10(8)16(17,18)19/h3-6,9H,7H2,1-2H3,(H,20,23).
What are the key properties of 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 353.30 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 15989898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).