ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate

C15H19N3O5 — CID 22334989

IUPACethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)n(CC)c2c1c(=O)n(CC)c(=O)n2C
InChIInChI=1S/C15H19N3O5/c1-5-17-10(19)8-9(14(21)23-7-3)11-12(17)16(4)15(22)18(6-2)13(11)20/h8H,5-7H2,1-4H3
InChIKeyVWMKIKIOWWUSGC-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.08
Rot. Bonds4

About ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 22334989) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID22334989
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Nameethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)n(CC)c2c1c(=O)n(CC)c(=O)n2C
InChIInChI=1S/C15H19N3O5/c1-5-17-10(19)8-9(14(21)23-7-3)11-12(17)16(4)15(22)18(6-2)13(11)20/h8H,5-7H2,1-4H3
InChIKeyVWMKIKIOWWUSGC-UHFFFAOYSA-N
XLogP0.08
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 22334993
diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
CID 11359009
ethyl 1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 47008966
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
CID 2997731
ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238783
ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate
CID 70581183
ethyl 1-(3-ethyl-1-methyl-2-oxobenzimidazol-5-yl)-2,4-dioxopyrimidine-5-carboxylate
CID 123528972
ethyl 7-cyclopropyl-3-[(4-fluorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238718
ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812767
ethyl 3-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238552
ethyl 3-[(3-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238717

Frequently Asked Questions

What is the IUPAC name of ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 22334989) is ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(=O)n(CC)c2c1c(=O)n(CC)c(=O)n2C.
What is the InChIKey of ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is VWMKIKIOWWUSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-5-17-10(19)8-9(14(21)23-7-3)11-12(17)16(4)15(22)18(6-2)13(11)20/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 22334989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).