6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate

C20H26N2O4 — CID 169034373

IUPAC6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCCCCCn1c(=O)ccn(-c2ccccc2)c1=O
InChIInChI=1S/C20H26N2O4/c1-16(2)19(24)26-15-9-4-3-8-13-22-18(23)12-14-21(20(22)25)17-10-6-5-7-11-17/h5-7,10-12,14,16H,3-4,8-9,13,15H2,1-2H3
InChIKeyONDQXPVERCDFHQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.76
Rot. Bonds9

About 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate

6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate (PubChem CID 169034373) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate.

Molecular Properties

Compound Name6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate
PubChem CID169034373
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCCCCCn1c(=O)ccn(-c2ccccc2)c1=O
InChIInChI=1S/C20H26N2O4/c1-16(2)19(24)26-15-9-4-3-8-13-22-18(23)12-14-21(20(22)25)17-10-6-5-7-11-17/h5-7,10-12,14,16H,3-4,8-9,13,15H2,1-2H3
InChIKeyONDQXPVERCDFHQ-UHFFFAOYSA-N
XLogP2.76
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate 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

3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
CID 163261574
8-(1-methyl-2-sulfanylidenequinolin-4-yl)oxyoctyl 2-methylpropanoate
CID 164525243
CID 174102272
CID 174102272
4-[2,4-dioxo-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-pyrimidin-6-yl]butyl 2-methylpropanoate
CID 169034364
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
6-methoxyhexyl 2-methylpropanoate
CID 135199835
8-aminooctyl 2-methylpropanoate
CID 88886116
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
[6-oxo-6-(4-oxo-5-phenyl-2-sulfanylidenepyrimidin-1-yl)hexyl] 2-methylpropanoate
CID 169034342
3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione
CID 167439165
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate?
The IUPAC name of 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate (CID 169034373) is 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate.
What is the SMILES notation for 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate?
The canonical SMILES for 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate is CC(C)C(=O)OCCCCCCn1c(=O)ccn(-c2ccccc2)c1=O.
What is the InChIKey of 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate?
The InChIKey is ONDQXPVERCDFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-16(2)19(24)26-15-9-4-3-8-13-22-18(23)12-14-21(20(22)25)17-10-6-5-7-11-17/h5-7,10-12,14,16H,3-4,8-9,13,15H2,1-2H3.
What are the key properties of 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate?
6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate has a molecular weight of 358.44 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate is sourced from PubChem (CID 169034373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).