[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C23H26N4O7 — CID 24980528

IUPAC[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCOCCN(C(=O)COC(=O)c1cc(C)oc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H26N4O7/c1-14-11-17(15(2)34-14)22(30)33-13-18(28)26(9-10-32-3)19-20(24)27(23(31)25-21(19)29)12-16-7-5-4-6-8-16/h4-8,11H,9-10,12-13,24H2,1-3H3,(H,25,29,31)
InChIKeyBCEOFMIVKJXXFS-UHFFFAOYSA-N
MW470.48 g/mol
LogP1.21
Rot. Bonds9

About [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 24980528) has the molecular formula C23H26N4O7 and a molecular weight of 470.48 g/mol. Its IUPAC name is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID24980528
Molecular FormulaC23H26N4O7
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCOCCN(C(=O)COC(=O)c1cc(C)oc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H26N4O7/c1-14-11-17(15(2)34-14)22(30)33-13-18(28)26(9-10-32-3)19-20(24)27(23(31)25-21(19)29)12-16-7-5-4-6-8-16/h4-8,11H,9-10,12-13,24H2,1-3H3,(H,25,29,31)
InChIKeyBCEOFMIVKJXXFS-UHFFFAOYSA-N
XLogP1.21
TPSA149.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 24980528) is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is COCCN(C(=O)COC(=O)c1cc(C)oc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is BCEOFMIVKJXXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O7/c1-14-11-17(15(2)34-14)22(30)33-13-18(28)26(9-10-32-3)19-20(24)27(23(31)25-21(19)29)12-16-7-5-4-6-8-16/h4-8,11H,9-10,12-13,24H2,1-3H3,(H,25,29,31).
What are the key properties of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 470.48 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 24980528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).