methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C19H19N3O5 — CID 4804067

IUPACmethyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOCCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C19H19N3O5/c1-11-4-6-12(7-5-11)14-10-13(18(24)27-3)15-16(20-14)22(8-9-26-2)19(25)21-17(15)23/h4-7,10H,8-9H2,1-3H3,(H,21,23,25)
InChIKeyFUQMNKUGAFYVRV-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.49
Rot. Bonds5

About methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 4804067) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID4804067
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOCCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C19H19N3O5/c1-11-4-6-12(7-5-11)14-10-13(18(24)27-3)15-16(20-14)22(8-9-26-2)19(25)21-17(15)23/h4-7,10H,8-9H2,1-3H3,(H,21,23,25)
InChIKeyFUQMNKUGAFYVRV-UHFFFAOYSA-N
XLogP1.49
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 7-(4-chlorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 4827614
ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 4784441
methyl 7-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 29096443
methyl 7-(1-ethylpyrazol-3-yl)-1-(2-methoxyethyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 29091468
ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 9467715
methyl 1-butyl-4-oxo-7-phenyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 29096665
1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17435548
methyl 1-(3-methoxypropyl)-4-oxo-2-sulfanylidene-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 44823661
methyl 7-(3,4-dichlorophenyl)-1-ethyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 44822075
1-(2-methoxyethyl)-7-(3-nitrophenyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 44823626
methyl 1-ethyl-4-oxo-2-sulfanylidene-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 44823703
propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 56763674

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 4804067) is methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is COCCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is FUQMNKUGAFYVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-4-6-12(7-5-11)14-10-13(18(24)27-3)15-16(20-14)22(8-9-26-2)19(25)21-17(15)23/h4-7,10H,8-9H2,1-3H3,(H,21,23,25).
What are the key properties of methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethyl)-7-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 4804067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).