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

C15H13BrFN3O3 — CID 5299151

IUPAC5-(5-bromo-2-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(c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C15H13BrFN3O3/c1-19-13-12(14(22)20(2)15(19)23)9(6-11(21)18-13)8-5-7(16)3-4-10(8)17/h3-5,9H,6H2,1-2H3,(H,18,21)
InChIKeyUERWNFJHXQJMGG-UHFFFAOYSA-N
MW382.19 g/mol
LogP1.46
Rot. Bonds1

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

5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 5299151) has the molecular formula C15H13BrFN3O3 and a molecular weight of 382.19 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID5299151
Molecular FormulaC15H13BrFN3O3
Molecular Weight382.19 g/mol
Exact Mass381.01
IUPAC Name5-(5-bromo-2-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(c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C15H13BrFN3O3/c1-19-13-12(14(22)20(2)15(19)23)9(6-11(21)18-13)8-5-7(16)3-4-10(8)17/h3-5,9H,6H2,1-2H3,(H,18,21)
InChIKeyUERWNFJHXQJMGG-UHFFFAOYSA-N
XLogP1.46
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 5299151) is 5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(5-bromo-2-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(c1cc(Br)ccc1F)CC(=O)N2.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is UERWNFJHXQJMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O3/c1-19-13-12(14(22)20(2)15(19)23)9(6-11(21)18-13)8-5-7(16)3-4-10(8)17/h3-5,9H,6H2,1-2H3,(H,18,21).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 382.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 5299151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).