1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione

C15H18N2O3 — CID 115946137

IUPAC1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
SMILESCCCCn1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-3-4-8-17-14(19)12(13(18)16-15(17)20)11-7-5-6-10(2)9-11/h5-7,9,19H,3-4,8H2,1-2H3,(H,16,18,20)
InChIKeyYAZICSRJVLDPCG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.02
Rot. Bonds4

About 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione

1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione (PubChem CID 115946137) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
PubChem CID115946137
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
SMILESCCCCn1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-3-4-8-17-14(19)12(13(18)16-15(17)20)11-7-5-6-10(2)9-11/h5-7,9,19H,3-4,8H2,1-2H3,(H,16,18,20)
InChIKeyYAZICSRJVLDPCG-UHFFFAOYSA-N
XLogP2.02
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 115948298
6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione
CID 115946369
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 112598408
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-6-hydroxypyrimidine-2,4-dione
CID 115947031
3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946839
1-but-3-ynyl-5-(3-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115948238
3-butyl-6-methyl-1H-benzimidazol-2-one
CID 139627859
5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 106185818
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
CID 135969950

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione (CID 115946137) is 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione is CCCCn1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is YAZICSRJVLDPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-4-8-17-14(19)12(13(18)16-15(17)20)11-7-5-6-10(2)9-11/h5-7,9,19H,3-4,8H2,1-2H3,(H,16,18,20).
What are the key properties of 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione?
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115946137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).