6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione

C24H26N2O4 — CID 10363973

IUPAC6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione
SMILESCCOCn1c(Cc2ccccc2)c(CC)c(=O)n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C24H26N2O4/c1-3-20-21(15-18-11-7-5-8-12-18)26(17-30-4-2)24(29)25(23(20)28)16-22(27)19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyYQDPDOBNUWDSKG-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.04
Rot. Bonds9

About 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione

6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione (PubChem CID 10363973) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione
PubChem CID10363973
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione
SMILESCCOCn1c(Cc2ccccc2)c(CC)c(=O)n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C24H26N2O4/c1-3-20-21(15-18-11-7-5-8-12-18)26(17-30-4-2)24(29)25(23(20)28)16-22(27)19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyYQDPDOBNUWDSKG-UHFFFAOYSA-N
XLogP3.04
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 142656493
6-benzyl-3-phenacyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 10600839
6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione
CID 142656479
1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione
CID 52936423
1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
CID 16747813
5,6-dibenzyl-1,3-dihexylpyrimidine-2,4-dione
CID 142656477
5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one
CID 10967713
6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 44597568
4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
CID 10958053
1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776873
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
benzylbenzene;ethoxyethane
CID 69148831

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione (CID 10363973) is 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione is CCOCn1c(Cc2ccccc2)c(CC)c(=O)n(CC(=O)c2ccccc2)c1=O.
What is the InChIKey of 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione?
The InChIKey is YQDPDOBNUWDSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-20-21(15-18-11-7-5-8-12-18)26(17-30-4-2)24(29)25(23(20)28)16-22(27)19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione?
6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione has a molecular weight of 406.48 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione is sourced from PubChem (CID 10363973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).