ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate

C18H17N3O4 — CID 9467715

IUPACethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2CC
InChIInChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(17(23)25-4-2)10-13(19-15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,20,22,24)
InChIKeyKWVNMCMBYDPFJZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.95
Rot. Bonds4

About ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 9467715) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID9467715
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2CC
InChIInChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(17(23)25-4-2)10-13(19-15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,20,22,24)
InChIKeyKWVNMCMBYDPFJZ-UHFFFAOYSA-N
XLogP1.95
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 4784441
methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 4804067
methyl 1-butyl-4-oxo-7-phenyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 29096665
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 71897602
methyl 7-(4-chlorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 4827614
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
methyl 7-(3,4-dichlorophenyl)-1-ethyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 44822075
[2-(diethylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509351
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate (CID 9467715) is ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2CC.
What is the InChIKey of ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is KWVNMCMBYDPFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(17(23)25-4-2)10-13(19-15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,20,22,24).
What are the key properties of ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 9467715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).