5-methyl-1-undec-10-enylpyrimidine-2,4-dione

C16H26N2O2 — CID 102262411

IUPAC5-methyl-1-undec-10-enylpyrimidine-2,4-dione
SMILESC=CCCCCCCCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-9-10-11-12-18-13-14(2)15(19)17-16(18)20/h3,13H,1,4-12H2,2H3,(H,17,19,20)
InChIKeyXYXYHPCMUVOALT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.15
Rot. Bonds10

About 5-methyl-1-undec-10-enylpyrimidine-2,4-dione

5-methyl-1-undec-10-enylpyrimidine-2,4-dione (PubChem CID 102262411) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-methyl-1-undec-10-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-undec-10-enylpyrimidine-2,4-dione
PubChem CID102262411
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-methyl-1-undec-10-enylpyrimidine-2,4-dione
SMILESC=CCCCCCCCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-9-10-11-12-18-13-14(2)15(19)17-16(18)20/h3,13H,1,4-12H2,2H3,(H,17,19,20)
InChIKeyXYXYHPCMUVOALT-UHFFFAOYSA-N
XLogP3.15
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-1-undec-10-enylpyrimidine-2,4-dione 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

1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione
CID 71331319
5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
CID 118938736
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione
CID 101155354
1-[7-(4-aminoindol-1-yl)heptyl]-5-methylpyrimidine-2,4-dione
CID 101155356
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67373850
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
CID 60734792
2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethylsulfanyl acetate
CID 151243454
1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid
CID 142308782

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-undec-10-enylpyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-undec-10-enylpyrimidine-2,4-dione (CID 102262411) is 5-methyl-1-undec-10-enylpyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-undec-10-enylpyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-undec-10-enylpyrimidine-2,4-dione is C=CCCCCCCCCCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-undec-10-enylpyrimidine-2,4-dione?
The InChIKey is XYXYHPCMUVOALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-9-10-11-12-18-13-14(2)15(19)17-16(18)20/h3,13H,1,4-12H2,2H3,(H,17,19,20).
What are the key properties of 5-methyl-1-undec-10-enylpyrimidine-2,4-dione?
5-methyl-1-undec-10-enylpyrimidine-2,4-dione has a molecular weight of 278.40 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-undec-10-enylpyrimidine-2,4-dione is sourced from PubChem (CID 102262411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).