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

C24H32N4O6 — CID 24982055

IUPAC[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCOCCN(C(=O)COC(=O)CCC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O6/c1-33-14-13-27(19(29)16-34-20(30)12-11-17-7-5-6-8-17)21-22(25)28(24(32)26-23(21)31)15-18-9-3-2-4-10-18/h2-4,9-10,17H,5-8,11-16,25H2,1H3,(H,26,31,32)
InChIKeyYWILITJGVTYPJA-UHFFFAOYSA-N
MW472.54 g/mol
LogP1.66
Rot. Bonds11

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

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 24982055) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID24982055
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCOCCN(C(=O)COC(=O)CCC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O6/c1-33-14-13-27(19(29)16-34-20(30)12-11-17-7-5-6-8-17)21-22(25)28(24(32)26-23(21)31)15-18-9-3-2-4-10-18/h2-4,9-10,17H,5-8,11-16,25H2,1H3,(H,26,31,32)
InChIKeyYWILITJGVTYPJA-UHFFFAOYSA-N
XLogP1.66
TPSA136.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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] 3-cyclopentylpropanoate?
The IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate (CID 24982055) is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate is COCCN(C(=O)COC(=O)CCC1CCCC1)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] 3-cyclopentylpropanoate?
The InChIKey is YWILITJGVTYPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O6/c1-33-14-13-27(19(29)16-34-20(30)12-11-17-7-5-6-8-17)21-22(25)28(24(32)26-23(21)31)15-18-9-3-2-4-10-18/h2-4,9-10,17H,5-8,11-16,25H2,1H3,(H,26,31,32).
What are the key properties of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 472.54 g/mol, XLogP of 1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 8 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] 3-cyclopentylpropanoate is sourced from PubChem (CID 24982055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).