methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate

C20H26N4O6 — CID 9019525

IUPACmethyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate
SMILESCCCCn1c(N)c(N(CC)C(=O)COc2ccc(C(=O)OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N4O6/c1-4-6-11-24-17(21)16(18(26)22-20(24)28)23(5-2)15(25)12-30-14-9-7-13(8-10-14)19(27)29-3/h7-10H,4-6,11-12,21H2,1-3H3,(H,22,26,28)
InChIKeyGZNCCRWOXUWOFY-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.14
Rot. Bonds9

About methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate

methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate (PubChem CID 9019525) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate
PubChem CID9019525
Molecular FormulaC20H26N4O6
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Namemethyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate
SMILESCCCCn1c(N)c(N(CC)C(=O)COc2ccc(C(=O)OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N4O6/c1-4-6-11-24-17(21)16(18(26)22-20(24)28)23(5-2)15(25)12-30-14-9-7-13(8-10-14)19(27)29-3/h7-10H,4-6,11-12,21H2,1-3H3,(H,22,26,28)
InChIKeyGZNCCRWOXUWOFY-UHFFFAOYSA-N
XLogP1.14
TPSA136.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate with MolForge

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Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide
CID 4792116
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 8918135
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290627
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-phenoxyphenoxy)-N-propylacetamide
CID 16594294
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-propoxybenzamide
CID 26196356
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide
CID 27930614
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507607
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322
methyl 6-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)carbamoyl]pyridine-3-carboxylate
CID 30748038
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
CID 16614219
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202121

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate (CID 9019525) is methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate is CCCCn1c(N)c(N(CC)C(=O)COc2ccc(C(=O)OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate?
The InChIKey is GZNCCRWOXUWOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6/c1-4-6-11-24-17(21)16(18(26)22-20(24)28)23(5-2)15(25)12-30-14-9-7-13(8-10-14)19(27)29-3/h7-10H,4-6,11-12,21H2,1-3H3,(H,22,26,28).
What are the key properties of methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate?
methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate has a molecular weight of 418.45 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 9019525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).