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

C15H13ClFN3O3 — CID 5297118

IUPAC5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1c(F)cccc1Cl)CC(=O)N2
InChIInChI=1S/C15H13ClFN3O3/c1-19-13-12(14(22)20(2)15(19)23)7(6-10(21)18-13)11-8(16)4-3-5-9(11)17/h3-5,7H,6H2,1-2H3,(H,18,21)
InChIKeyXZGZJEVZZWIUKZ-UHFFFAOYSA-N
MW337.74 g/mol
LogP1.35
Rot. Bonds1

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

5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 5297118) has the molecular formula C15H13ClFN3O3 and a molecular weight of 337.74 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID5297118
Molecular FormulaC15H13ClFN3O3
Molecular Weight337.74 g/mol
Exact Mass337.06
IUPAC Name5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1c(F)cccc1Cl)CC(=O)N2
InChIInChI=1S/C15H13ClFN3O3/c1-19-13-12(14(22)20(2)15(19)23)7(6-10(21)18-13)11-8(16)4-3-5-9(11)17/h3-5,7H,6H2,1-2H3,(H,18,21)
InChIKeyXZGZJEVZZWIUKZ-UHFFFAOYSA-N
XLogP1.35
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione 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 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 5297118) is 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c2c(c(=O)n(C)c1=O)C(c1c(F)cccc1Cl)CC(=O)N2.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is XZGZJEVZZWIUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O3/c1-19-13-12(14(22)20(2)15(19)23)7(6-10(21)18-13)11-8(16)4-3-5-9(11)17/h3-5,7H,6H2,1-2H3,(H,18,21).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 337.74 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 5297118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).