[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C25H28N4O6 — CID 25162787

IUPAC[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCCN(C(=O)COC(=O)CCOc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H28N4O6/c1-3-28(20(30)16-35-21(31)13-14-34-19-12-8-7-9-17(19)2)22-23(26)29(25(33)27-24(22)32)15-18-10-5-4-6-11-18/h4-12H,3,13-16,26H2,1-2H3,(H,27,32,33)
InChIKeyLPMYUWZTCXJFFF-UHFFFAOYSA-N
MW480.52 g/mol
LogP1.84
Rot. Bonds10

About [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 25162787) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID25162787
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCCN(C(=O)COC(=O)CCOc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H28N4O6/c1-3-28(20(30)16-35-21(31)13-14-34-19-12-8-7-9-17(19)2)22-23(26)29(25(33)27-24(22)32)15-18-10-5-4-6-11-18/h4-12H,3,13-16,26H2,1-2H3,(H,27,32,33)
InChIKeyLPMYUWZTCXJFFF-UHFFFAOYSA-N
XLogP1.84
TPSA136.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate with MolForge

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Launch Full Analysis

Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(2-methylphenoxy)butanamide
CID 55537745
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 43012337
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide
CID 4805502
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-3-(2-methylphenoxy)propanamide
CID 24687151
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55355076
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673417
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429458
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 25162119
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-chlorophenoxy)-N-propylacetamide
CID 4814880
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30886089
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 30017344
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 24687984

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 25162787) is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is CCN(C(=O)COC(=O)CCOc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is LPMYUWZTCXJFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-3-28(20(30)16-35-21(31)13-14-34-19-12-8-7-9-17(19)2)22-23(26)29(25(33)27-24(22)32)15-18-10-5-4-6-11-18/h4-12H,3,13-16,26H2,1-2H3,(H,27,32,33).
What are the key properties of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 480.52 g/mol, XLogP of 1.84, 10 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)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 25162787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).