[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate

C16H24N2O5 — CID 172580558

IUPAC[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate
SMILESCOC(CCn1ccc(=O)[nH]c1=O)COC(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O5/c1-22-13(7-9-18-10-8-14(19)17-16(18)21)11-23-15(20)12-5-3-2-4-6-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,19,21)
InChIKeyAVSLFKWQTNMMSO-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.07
Rot. Bonds7

About [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate

[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate (PubChem CID 172580558) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate
PubChem CID172580558
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate
SMILESCOC(CCn1ccc(=O)[nH]c1=O)COC(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O5/c1-22-13(7-9-18-10-8-14(19)17-16(18)21)11-23-15(20)12-5-3-2-4-6-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,19,21)
InChIKeyAVSLFKWQTNMMSO-UHFFFAOYSA-N
XLogP1.07
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 2-methoxyacetate
CID 172580838
2,4-dimethylpentan-3-yl [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] carbonate
CID 172580747
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 1-propan-2-yloxycyclopropane-1-carboxylate
CID 178006600
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 2-methyloxolane-2-carboxylate;[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl cyclohexanecarboxylate;[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methylcyclohexane-1-carboxylate
CID 172580515
[(2S)-2-acetyloxy-4-(2,4-dioxopyrimidin-1-yl)butyl] acetate
CID 70894812
N-[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutoxy]formamide;ethane;fluoromethane;methanol
CID 168960113
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxypentyl] thiolane-2-carboxylate
CID 178006585
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788640
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate
CID 68502284
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate?
The IUPAC name of [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate (CID 172580558) is [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate.
What is the SMILES notation for [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate?
The canonical SMILES for [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate is COC(CCn1ccc(=O)[nH]c1=O)COC(=O)C1CCCCC1.
What is the InChIKey of [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate?
The InChIKey is AVSLFKWQTNMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-22-13(7-9-18-10-8-14(19)17-16(18)21)11-23-15(20)12-5-3-2-4-6-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,19,21).
What are the key properties of [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate?
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate has a molecular weight of 324.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] cyclohexanecarboxylate is sourced from PubChem (CID 172580558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).