5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid

C23H42N2O4 — CID 161078720

IUPAC5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H36O2.C5H6N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-2-6-5(9)7-4(3)8/h2-17H2,1H3,(H,19,20);2H,1H3,(H2,6,7,8,9)
InChIKeyUFPWIUFTRKMGDM-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.70
Rot. Bonds16

About 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid

5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid (PubChem CID 161078720) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid.

Molecular Properties

Compound Name5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid
PubChem CID161078720
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Name5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H36O2.C5H6N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-2-6-5(9)7-4(3)8/h2-17H2,1H3,(H,19,20);2H,1H3,(H2,6,7,8,9)
InChIKeyUFPWIUFTRKMGDM-UHFFFAOYSA-N
XLogP5.70
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid 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

5-Fluorouracil-stearic acid
CID 168475782
6-(5-Methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 65563145
1-[[2-(Octadecanoyloxy)-ethoxy]-methyl]-5-methyluracil
CID 13959736
1-[[2-(Hexadecanoyloxy)-ethoxy]-methyl]-5-methyluracil
CID 15702759
1-[[2-(Eicosanoyloxy)-ethoxy]-methyl]-5-methyluracil
CID 15702760
5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid
CID 67724467
5-fluoro-1H-pyrimidine-2,4-dione;tetradecanoic acid
CID 70145826
2-(5-Methyl-2,4-dioxopyrimidin-1-yl)octadecanoic acid
CID 139935321
6-(2,4-dioxo-1H-pyrimidin-5-yl)hexanoic acid
CID 160413711
5-amino-1H-pyrimidine-2,4-dione;octanoic acid
CID 175319920
5-(2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid
CID 175833600
7-(2,4-dioxo-1H-pyrimidin-5-yl)heptanoic acid
CID 175833625

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid?
The IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid (CID 161078720) is 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid.
What is the SMILES notation for 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid?
The canonical SMILES for 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid?
The InChIKey is UFPWIUFTRKMGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C5H6N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-2-6-5(9)7-4(3)8/h2-17H2,1H3,(H,19,20);2H,1H3,(H2,6,7,8,9).
What are the key properties of 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid?
5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid has a molecular weight of 410.60 g/mol, XLogP of 5.70, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid is sourced from PubChem (CID 161078720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).