N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide

C23H34N4O5 — CID 55327830

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H34N4O5/c1-6-16(4)17-9-7-8-10-18(17)32-14-19(28)26(11-12-31-5)20-21(24)27(13-15(2)3)23(30)25-22(20)29/h7-10,15-16H,6,11-14,24H2,1-5H3,(H,25,29,30)
InChIKeyTYTMWUPBRGKUPQ-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.35
Rot. Bonds11

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 55327830) has the molecular formula C23H34N4O5 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID55327830
Molecular FormulaC23H34N4O5
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H34N4O5/c1-6-16(4)17-9-7-8-10-18(17)32-14-19(28)26(11-12-31-5)20-21(24)27(13-15(2)3)23(30)25-22(20)29/h7-10,15-16H,6,11-14,24H2,1-5H3,(H,25,29,30)
InChIKeyTYTMWUPBRGKUPQ-UHFFFAOYSA-N
XLogP2.35
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2,6-dichlorophenoxy)-N-(2-methoxyethyl)acetamide
CID 24684728
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-bromophenoxy)-N-(2-methoxyethyl)acetamide
CID 26211787
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 8840063
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 42974573
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 16556393
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425588
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenoxy)-N-(2-methoxyethyl)acetamide
CID 7505925
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7981154
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 55703813
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-tert-butylphenoxy)-N-(3-methoxypropyl)acetamide
CID 26183852

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide (CID 55327830) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide is CCC(C)c1ccccc1OCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is TYTMWUPBRGKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5/c1-6-16(4)17-9-7-8-10-18(17)32-14-19(28)26(11-12-31-5)20-21(24)27(13-15(2)3)23(30)25-22(20)29/h7-10,15-16H,6,11-14,24H2,1-5H3,(H,25,29,30).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 446.55 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55327830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).