1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C15H10F3N3O2 — CID 19781665

IUPAC1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1c(F)cc(F)c(-n2c(=O)[nH]c(=O)c3cccnc32)c1F
InChIInChI=1S/C15H10F3N3O2/c1-2-7-9(16)6-10(17)12(11(7)18)21-13-8(4-3-5-19-13)14(22)20-15(21)23/h3-6H,2H2,1H3,(H,20,22,23)
InChIKeyONDNEKADJJYQMZ-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.05
Rot. Bonds2

About 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 19781665) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID19781665
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1c(F)cc(F)c(-n2c(=O)[nH]c(=O)c3cccnc32)c1F
InChIInChI=1S/C15H10F3N3O2/c1-2-7-9(16)6-10(17)12(11(7)18)21-13-8(4-3-5-19-13)14(22)20-15(21)23/h3-6H,2H2,1H3,(H,20,22,23)
InChIKeyONDNEKADJJYQMZ-UHFFFAOYSA-N
XLogP2.05
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 19781665) is 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCc1c(F)cc(F)c(-n2c(=O)[nH]c(=O)c3cccnc32)c1F.
What is the InChIKey of 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ONDNEKADJJYQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-2-7-9(16)6-10(17)12(11(7)18)21-13-8(4-3-5-19-13)14(22)20-15(21)23/h3-6H,2H2,1H3,(H,20,22,23).
What are the key properties of 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 321.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 19781665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).