methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C18H19N3O5 — CID 4804029

IUPACmethyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C18H19N3O5/c1-10(2)9-21-15-14(16(22)20(3)18(21)24)11(17(23)25-4)8-12(19-15)13-6-5-7-26-13/h5-8,10H,9H2,1-4H3
InChIKeyTYLPTBMSJNUPAT-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.80
Rot. Bonds4

About methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 4804029) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID4804029
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Namemethyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C18H19N3O5/c1-10(2)9-21-15-14(16(22)20(3)18(21)24)11(17(23)25-4)8-12(19-15)13-6-5-7-26-13/h5-8,10H,9H2,1-4H3
InChIKeyTYLPTBMSJNUPAT-UHFFFAOYSA-N
XLogP1.80
TPSA96.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

methyl 7-(furan-2-yl)-1-(3-methylphenyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 29091513
methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247958
methyl 7-(4-chlorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 4827614
(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 37260985
methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 822286
ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2380946
methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
CID 95054397
methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 9115095
methyl 5-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate
CID 84603283
N-ethoxy-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46536338
methyl 1,7-dimethyl-2,4-dioxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812800
(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 18131246

Frequently Asked Questions

What is the IUPAC name of methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 4804029) is methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2CC(C)C.
What is the InChIKey of methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is TYLPTBMSJNUPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-10(2)9-21-15-14(16(22)20(3)18(21)24)11(17(23)25-4)8-12(19-15)13-6-5-7-26-13/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 4804029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).