6-acetyl-1,3-dibenzylpyrimidine-2,4-dione

C20H18N2O3 — CID 131848742

IUPAC6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
SMILESCC(=O)c1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H18N2O3/c1-15(23)18-12-19(24)22(14-17-10-6-3-7-11-17)20(25)21(18)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3
InChIKeyMTLGSPDFACWYLD-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.31
Rot. Bonds5

About 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione

6-acetyl-1,3-dibenzylpyrimidine-2,4-dione (PubChem CID 131848742) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
PubChem CID131848742
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
SMILESCC(=O)c1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H18N2O3/c1-15(23)18-12-19(24)22(14-17-10-6-3-7-11-17)20(25)21(18)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3
InChIKeyMTLGSPDFACWYLD-UHFFFAOYSA-N
XLogP2.31
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-(1-benzyl-5-propan-2-ylpyrrol-2-yl)ethanone
CID 158790319
1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione
CID 53375533
1-(7-benzyl-2,4-dichloropyrrolo[2,3-d]pyrimidin-6-yl)ethanone
CID 146171822
3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione
CID 102056709
1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 3620214
N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 118658476
tert-butyl 1,3-bis[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidine-4-carboxylate
CID 150054234
3-benzyl-4-hydroxy-1-methylimidazol-2-one
CID 54237295
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-benzyl-4,5-dichloropyrrole-2-carbonyl chloride
CID 121014546

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione?
The IUPAC name of 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione (CID 131848742) is 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione.
What is the SMILES notation for 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione?
The canonical SMILES for 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione is CC(=O)c1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione?
The InChIKey is MTLGSPDFACWYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-15(23)18-12-19(24)22(14-17-10-6-3-7-11-17)20(25)21(18)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3.
What are the key properties of 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione?
6-acetyl-1,3-dibenzylpyrimidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,3-dibenzylpyrimidine-2,4-dione is sourced from PubChem (CID 131848742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).