3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione

C20H20N2O3 — CID 5302093

IUPAC3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione
SMILESCc1cn(CCOc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H20N2O3/c1-16-14-21(12-13-25-18-10-6-3-7-11-18)20(24)22(19(16)23)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3
InChIKeyZRFVCCOBGCZZCE-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.45
Rot. Bonds6

About 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione

3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione (PubChem CID 5302093) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione
PubChem CID5302093
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione
SMILESCc1cn(CCOc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H20N2O3/c1-16-14-21(12-13-25-18-10-6-3-7-11-18)20(24)22(19(16)23)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3
InChIKeyZRFVCCOBGCZZCE-UHFFFAOYSA-N
XLogP2.45
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)propanal
CID 10540108
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione
CID 5306011
1-ethyl-3-(2-phenoxyethyl)imidazol-2-one
CID 116624118
1-[(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 54554001
7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
ethyl 3-(3-benzyl-5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 805490
1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione
CID 10758439
1,3-dibenzyl-5-[(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)methyl]pyrimidine-2,4-dione
CID 10188830
4-[4-[3-(3-benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)propylamino]-1-cyanocyclohexyl]benzonitrile
CID 70296090
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
3-benzyl-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785336

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione (CID 5302093) is 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione is Cc1cn(CCOc2ccccc2)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione?
The InChIKey is ZRFVCCOBGCZZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-16-14-21(12-13-25-18-10-6-3-7-11-18)20(24)22(19(16)23)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3.
What are the key properties of 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione?
3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 5302093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).