2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate

C24H42N2O5 — CID 15702759

IUPAC2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C24H42N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)31-18-17-30-20-26-19-21(2)23(28)25-24(26)29/h19H,3-18,20H2,1-2H3,(H,25,28,29)
InChIKeyDOXDPWHQXSABPG-UHFFFAOYSA-N
MW438.61 g/mol
LogP4.84
Rot. Bonds19

About 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate

2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate (PubChem CID 15702759) has the molecular formula C24H42N2O5 and a molecular weight of 438.61 g/mol. Its IUPAC name is 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate.

Molecular Properties

Compound Name2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate
PubChem CID15702759
Molecular FormulaC24H42N2O5
Molecular Weight438.61 g/mol
Exact Mass438.31
IUPAC Name2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C24H42N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)31-18-17-30-20-26-19-21(2)23(28)25-24(26)29/h19H,3-18,20H2,1-2H3,(H,25,28,29)
InChIKeyDOXDPWHQXSABPG-UHFFFAOYSA-N
XLogP4.84
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate 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

[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl octanoate
CID 44582046
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl dodecanoate
CID 44582047
Dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]-(2-octanoyloxyethyl)ammonium
CID 462761
2-Hexadecanoyloxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]ammonium
CID 462762
3-Hexadecanoyloxypropyl-dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]ammonium
CID 462763
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl tetradecanoate
CID 495615
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 12-methoxydodecanoate
CID 495627
[(E)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl] dodecanoate
CID 6477694
Heptanoic acid 3-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propenyl ester
CID 44355754
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl hexadecanoate
CID 44582048
[3-Fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl tetradecanoate
CID 378919
[3-Fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 12-methoxydodecanoate
CID 379195

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate?
The IUPAC name of 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate (CID 15702759) is 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate.
What is the SMILES notation for 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate?
The canonical SMILES for 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCCOCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate?
The InChIKey is DOXDPWHQXSABPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)31-18-17-30-20-26-19-21(2)23(28)25-24(26)29/h19H,3-18,20H2,1-2H3,(H,25,28,29).
What are the key properties of 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate?
2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate has a molecular weight of 438.61 g/mol, XLogP of 4.84, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl hexadecanoate is sourced from PubChem (CID 15702759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).