1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione

C23H24N2O4 — CID 16747813

IUPAC1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(COCc2ccc(C(C)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H24N2O4/c1-3-20-21(13-17-7-5-4-6-8-17)25(23(28)24-22(20)27)15-29-14-18-9-11-19(12-10-18)16(2)26/h4-12H,3,13-15H2,1-2H3,(H,24,27,28)
InChIKeySKHVVSSSDHAACU-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.07
Rot. Bonds8

About 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione

1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione (PubChem CID 16747813) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
PubChem CID16747813
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(COCc2ccc(C(C)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H24N2O4/c1-3-20-21(13-17-7-5-4-6-8-17)25(23(28)24-22(20)27)15-29-14-18-9-11-19(12-10-18)16(2)26/h4-12H,3,13-15H2,1-2H3,(H,24,27,28)
InChIKeySKHVVSSSDHAACU-UHFFFAOYSA-N
XLogP3.07
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 44597568
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 142656493
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[(E)-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 6480197
6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 5279588
5-bromo-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964462
6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione
CID 6480198
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
CID 501417
1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776873
5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 127047090
5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964463
6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 141371447

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione (CID 16747813) is 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione is CCc1c(Cc2ccccc2)n(COCc2ccc(C(C)=O)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione?
The InChIKey is SKHVVSSSDHAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-20-21(13-17-7-5-4-6-8-17)25(23(28)24-22(20)27)15-29-14-18-9-11-19(12-10-18)16(2)26/h4-12H,3,13-15H2,1-2H3,(H,24,27,28).
What are the key properties of 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione?
1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 16747813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).