[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C23H30N4O8 — CID 24687891

IUPAC[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2cccc(C(C)=O)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N4O8/c1-4-5-9-27-21(24)20(22(31)25-23(27)32)26(10-11-33-3)18(29)13-35-19(30)14-34-17-8-6-7-16(12-17)15(2)28/h6-8,12H,4-5,9-11,13-14,24H2,1-3H3,(H,25,31,32)
InChIKeyBHKFIFQOYDAXFM-UHFFFAOYSA-N
MW490.51 g/mol
LogP0.72
Rot. Bonds13

About [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 24687891) has the molecular formula C23H30N4O8 and a molecular weight of 490.51 g/mol. Its IUPAC name is [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID24687891
Molecular FormulaC23H30N4O8
Molecular Weight490.51 g/mol
Exact Mass490.21
IUPAC Name[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2cccc(C(C)=O)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N4O8/c1-4-5-9-27-21(24)20(22(31)25-23(27)32)26(10-11-33-3)18(29)13-35-19(30)14-34-17-8-6-7-16(12-17)15(2)28/h6-8,12H,4-5,9-11,13-14,24H2,1-3H3,(H,25,31,32)
InChIKeyBHKFIFQOYDAXFM-UHFFFAOYSA-N
XLogP0.72
TPSA163.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2520949
2-(3-acetylphenoxy)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 16293835
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 16347968
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 18227503
ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24686716
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylmethoxybenzamide
CID 24687013
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 24687767
[2-(3-Methoxyphenyl)-2-oxoethyl] 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 24819760
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 24980207
2-(3-acetylphenoxy)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 25102442
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 25162117
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 25163145

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 24687891) is [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate is CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2cccc(C(C)=O)c2)c(=O)[nH]c1=O.
What is the InChIKey of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is BHKFIFQOYDAXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O8/c1-4-5-9-27-21(24)20(22(31)25-23(27)32)26(10-11-33-3)18(29)13-35-19(30)14-34-17-8-6-7-16(12-17)15(2)28/h6-8,12H,4-5,9-11,13-14,24H2,1-3H3,(H,25,31,32).
What are the key properties of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 490.51 g/mol, XLogP of 0.72, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 24687891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).