6-benzyl-1-ethylpyrimidine-2,4-dione

C13H14N2O2 — CID 90982665

IUPAC6-benzyl-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(Cc2ccccc2)cc(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O2/c1-2-15-11(9-12(16)14-13(15)17)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16,17)
InChIKeyIANOIAZRZKUDEQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.15
Rot. Bonds3

About 6-benzyl-1-ethylpyrimidine-2,4-dione

6-benzyl-1-ethylpyrimidine-2,4-dione (PubChem CID 90982665) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-benzyl-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-1-ethylpyrimidine-2,4-dione
PubChem CID90982665
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-benzyl-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(Cc2ccccc2)cc(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O2/c1-2-15-11(9-12(16)14-13(15)17)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16,17)
InChIKeyIANOIAZRZKUDEQ-UHFFFAOYSA-N
XLogP1.15
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-6-phenylsulfanylpyrimidine-2,4-dione
CID 67615670
6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 141308336
5-benzyl-1-ethylpyrrole-2-carboxylic acid
CID 100793237
N-(6-benzyl-1-ethyl-2-oxo-3-pyridinyl)acetamide
CID 21057251
1-(ethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
CID 66573084
1-ethylquinazoline-2,4-dione
CID 825310
5-benzyl-1-butyl-2,3-dimethylpyrrole
CID 10681586
3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075417
3-ethyl-5-(3-phenylpropoxy)-1H-benzimidazol-2-one
CID 155557913
4-benzyl-2-methoxy-1H-pyrimidin-6-one
CID 135483738
2-[(6-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 143785897
1,2,5-tribenzylpyrrole
CID 15072584

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-1-ethylpyrimidine-2,4-dione (CID 90982665) is 6-benzyl-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-1-ethylpyrimidine-2,4-dione is CCn1c(Cc2ccccc2)cc(=O)[nH]c1=O.
What is the InChIKey of 6-benzyl-1-ethylpyrimidine-2,4-dione?
The InChIKey is IANOIAZRZKUDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-15-11(9-12(16)14-13(15)17)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16,17).
What are the key properties of 6-benzyl-1-ethylpyrimidine-2,4-dione?
6-benzyl-1-ethylpyrimidine-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 90982665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).