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

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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).