1-benzyl-5-butylpyrimidine-2,4-dione

C15H18N2O2 — CID 71028668

IUPAC1-benzyl-5-butylpyrimidine-2,4-dione
SMILESCCCCc1cn(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-2-3-9-13-11-17(15(19)16-14(13)18)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,16,18,19)
InChIKeyVWVAQPDUMUPCOD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds5

About 1-benzyl-5-butylpyrimidine-2,4-dione

1-benzyl-5-butylpyrimidine-2,4-dione (PubChem CID 71028668) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzyl-5-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-butylpyrimidine-2,4-dione
PubChem CID71028668
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-benzyl-5-butylpyrimidine-2,4-dione
SMILESCCCCc1cn(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-2-3-9-13-11-17(15(19)16-14(13)18)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,16,18,19)
InChIKeyVWVAQPDUMUPCOD-UHFFFAOYSA-N
XLogP1.93
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934
5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 66330527
1-benzyl-5-hydroxypyrimidine-2,4-dione
CID 130005673
4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]benzoic acid
CID 66328535
1-benzyl-5-fluoropyrimidine-2,4-dione;silver
CID 88760858
5-acetyl-1-benzylpyrimidine-2,4-dione
CID 3334243
1-[(3-bromophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328937
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
methyl 1-benzyl-4-hexyl-2-methylpyrrole-3-carboxylate
CID 102252868
2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid
CID 141105320
5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66330314
1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione
CID 71722279

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-butylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-butylpyrimidine-2,4-dione (CID 71028668) is 1-benzyl-5-butylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-butylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-butylpyrimidine-2,4-dione is CCCCc1cn(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-5-butylpyrimidine-2,4-dione?
The InChIKey is VWVAQPDUMUPCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-3-9-13-11-17(15(19)16-14(13)18)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,16,18,19).
What are the key properties of 1-benzyl-5-butylpyrimidine-2,4-dione?
1-benzyl-5-butylpyrimidine-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-butylpyrimidine-2,4-dione is sourced from PubChem (CID 71028668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).