1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile

C16H17N3O3 — CID 17457547

IUPAC1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(CCOc2ccccc2C)c1=O
InChIInChI=1S/C16H17N3O3/c1-3-18-11-13(10-17)15(20)19(16(18)21)8-9-22-14-7-5-4-6-12(14)2/h4-7,11H,3,8-9H2,1-2H3
InChIKeyVZVZQIXFSWEQMT-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.29
Rot. Bonds5

About 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile

1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 17457547) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID17457547
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(CCOc2ccccc2C)c1=O
InChIInChI=1S/C16H17N3O3/c1-3-18-11-13(10-17)15(20)19(16(18)21)8-9-22-14-7-5-4-6-12(14)2/h4-7,11H,3,8-9H2,1-2H3
InChIKeyVZVZQIXFSWEQMT-UHFFFAOYSA-N
XLogP1.29
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[2-(2-nitrophenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 60517415
2-[2-(3-ethyl-2,6-dioxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63800667
1-ethyl-3-[3-(4-methoxyphenoxy)propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 39020632
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 24604351
1-ethyl-3-[3-(3-fluorophenyl)propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 75448514
2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile
CID 17422793
1-ethyl-2,4-dioxo-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]pyrimidine-5-carbonitrile
CID 99825417
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
CID 47017790
1-ethyl-3-[(2-methoxy-5-nitrophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 24619101
5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one
CID 52891668
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
3-[2-(4-butan-2-ylphenyl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 24600830

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 17457547) is 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile is CCn1cc(C#N)c(=O)n(CCOc2ccccc2C)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is VZVZQIXFSWEQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-18-11-13(10-17)15(20)19(16(18)21)8-9-22-14-7-5-4-6-12(14)2/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 17457547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).