6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione

C14H22N2O4 — CID 136593527

IUPAC6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
SMILESCCCCCCCC(=O)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N2O4/c1-4-5-6-7-8-9-10(17)11-12(18)15(2)14(20)16(3)13(11)19/h18H,4-9H2,1-3H3
InChIKeyZANGOSASJMLHLI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.33
Rot. Bonds7

About 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione (PubChem CID 136593527) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
PubChem CID136593527
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
SMILESCCCCCCCC(=O)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N2O4/c1-4-5-6-7-8-9-10(17)11-12(18)15(2)14(20)16(3)13(11)19/h18H,4-9H2,1-3H3
InChIKeyZANGOSASJMLHLI-UHFFFAOYSA-N
XLogP1.33
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-3-octanoylpyridin-2-one
CID 150407905
1,3-dimethyl-5-octanoylbenzimidazol-2-one
CID 62298843
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide
CID 45118798
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
1-(2,4,6-trihydroxyphenyl)hexadecan-1-one
CID 23426751
1-(2,4,6-trihydroxy-3-octadecanoylphenyl)octadecan-1-one
CID 44571474
3,5-di(heptanoyl)-4,6-dihydroxypyran-2-one
CID 135721852
1,3-dimethyl-7-octanoylpurine-2,6-dione
CID 21485955
5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione
CID 80649763
1-(2,5-dihydroxy-3,4,6-tripropylphenyl)octadecan-1-one
CID 91745859
1-(3,6-dihydroxy-2-propylphenyl)octadecan-1-one
CID 91727329
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione (CID 136593527) is 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione is CCCCCCCC(=O)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione?
The InChIKey is ZANGOSASJMLHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-5-6-7-8-9-10(17)11-12(18)15(2)14(20)16(3)13(11)19/h18H,4-9H2,1-3H3.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione is sourced from PubChem (CID 136593527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).