6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate

C24H42N2O5 — CID 170126165

IUPAC6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCCCCOc1cn(CCCCCCOC(=O)C(C)(CC(C)C)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H42N2O5/c1-7-8-14-30-20-17-26(23(29)25-21(20)27)13-11-9-10-12-15-31-22(28)24(6,19(4)5)16-18(2)3/h17-19H,7-16H2,1-6H3,(H,25,27,29)
InChIKeyOLLBXQFRVDBOJB-UHFFFAOYSA-N
MW438.61 g/mol
LogP4.53
Rot. Bonds15

About 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate

6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 170126165) has the molecular formula C24H42N2O5 and a molecular weight of 438.61 g/mol. Its IUPAC name is 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID170126165
Molecular FormulaC24H42N2O5
Molecular Weight438.61 g/mol
Exact Mass438.31
IUPAC Name6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCCCCOc1cn(CCCCCCOC(=O)C(C)(CC(C)C)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H42N2O5/c1-7-8-14-30-20-17-26(23(29)25-21(20)27)13-11-9-10-12-15-31-22(28)24(6,19(4)5)16-18(2)3/h17-19H,7-16H2,1-6H3,(H,25,27,29)
InChIKeyOLLBXQFRVDBOJB-UHFFFAOYSA-N
XLogP4.53
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate 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

6-[5-(4-methoxyphenyl)-2,4-dioxopyrimidin-1-yl]hexyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170125745
[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170126050
8-(2,4-dioxo-1H-pyrimidin-3-yl)octyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170125867
6-(3-ethyl-5-fluoro-2,6-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170125933
6-[2,4-dioxo-5-(trifluoromethyl)-1H-pyrimidin-3-yl]hexyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170125949
6-[3-ethyl-5-fluoro-2,6-bis(sulfanylidene)pyrimidin-1-yl]hexyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170125945
[6-[2,4-bis(sulfanylidene)-1H-pyrimidin-3-yl]-6-oxohexyl] 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170126028
CID 174102272
CID 174102272
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
3-butoxycarbonyl-3,4-dimethylpentanoic acid
CID 126712682
2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
CID 142590810
2-[4-[(2S)-2,4-dimethyl-2-propan-2-ylpentanoyl]oxybutoxy]-1,1-difluoro-2-oxoethanesulfonic acid
CID 163802492

Frequently Asked Questions

What is the IUPAC name of 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate (CID 170126165) is 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate is CCCCOc1cn(CCCCCCOC(=O)C(C)(CC(C)C)C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is OLLBXQFRVDBOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O5/c1-7-8-14-30-20-17-26(23(29)25-21(20)27)13-11-9-10-12-15-31-22(28)24(6,19(4)5)16-18(2)3/h17-19H,7-16H2,1-6H3,(H,25,27,29).
What are the key properties of 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate?
6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 438.61 g/mol, XLogP of 4.53, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-butoxy-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 170126165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).