5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione

C18H23N3O3 — CID 2840327

IUPAC5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
SMILESCCCC/N=C/c1c(O)n(-c2c(C)cc(C)cc2C)c(=O)[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-5-6-7-19-10-14-16(22)20-18(24)21(17(14)23)15-12(3)8-11(2)9-13(15)4/h8-10,23H,5-7H2,1-4H3,(H,20,22,24)/b19-10+
InChIKeyBNOVDRFCAHWURK-VXLYETTFSA-N
MW329.40 g/mol
LogP2.38
Rot. Bonds5

About 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione

5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione (PubChem CID 2840327) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
PubChem CID2840327
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
SMILESCCCC/N=C/c1c(O)n(-c2c(C)cc(C)cc2C)c(=O)[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-5-6-7-19-10-14-16(22)20-18(24)21(17(14)23)15-12(3)8-11(2)9-13(15)4/h8-10,23H,5-7H2,1-4H3,(H,20,22,24)/b19-10+
InChIKeyBNOVDRFCAHWURK-VXLYETTFSA-N
XLogP2.38
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione (CID 2840327) is 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione is CCCC/N=C/c1c(O)n(-c2c(C)cc(C)cc2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The InChIKey is BNOVDRFCAHWURK-VXLYETTFSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-6-7-19-10-14-16(22)20-18(24)21(17(14)23)15-12(3)8-11(2)9-13(15)4/h8-10,23H,5-7H2,1-4H3,(H,20,22,24)/b19-10+.
What are the key properties of 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2840327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).