6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione

C13H22N2O3 — CID 112601536

IUPAC6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
SMILESCCCCCCCCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N2O3/c1-3-4-5-6-7-8-9-15-12(17)10(2)11(16)14-13(15)18/h17H,3-9H2,1-2H3,(H,14,16,18)
InChIKeyBCCKZQSJXTYMBI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.91
Rot. Bonds7

About 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione

6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione (PubChem CID 112601536) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
PubChem CID112601536
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
SMILESCCCCCCCCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N2O3/c1-3-4-5-6-7-8-9-15-12(17)10(2)11(16)14-13(15)18/h17H,3-9H2,1-2H3,(H,14,16,18)
InChIKeyBCCKZQSJXTYMBI-UHFFFAOYSA-N
XLogP1.91
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-hydroxy-5-methyl-1-octylpyrimidine-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-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598583
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599367
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
CID 112599925
1-butyl-5-(C-ethyl-N-hexylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 3251903
3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601609
N-[(E)-(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135717455
N-[(E)-(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135440854
5-bromo-1-butyl-6-methylpyrimidine-2,4-dione
CID 13014883
1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione (CID 112601536) is 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione is CCCCCCCCn1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione?
The InChIKey is BCCKZQSJXTYMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-4-5-6-7-8-9-15-12(17)10(2)11(16)14-13(15)18/h17H,3-9H2,1-2H3,(H,14,16,18).
What are the key properties of 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione is sourced from PubChem (CID 112601536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).