ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate

C15H22N2O5 — CID 4994257

IUPACethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1nc(C)n(CC(=O)OCC)c(=O)c1CC
InChIInChI=1S/C15H22N2O5/c1-5-11-12(8-13(18)21-6-2)16-10(4)17(15(11)20)9-14(19)22-7-3/h5-9H2,1-4H3
InChIKeyPDYVPVSCEXQWOK-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.78
Rot. Bonds7

About ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate

ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate (PubChem CID 4994257) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate
PubChem CID4994257
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nameethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1nc(C)n(CC(=O)OCC)c(=O)c1CC
InChIInChI=1S/C15H22N2O5/c1-5-11-12(8-13(18)21-6-2)16-10(4)17(15(11)20)9-14(19)22-7-3/h5-9H2,1-4H3
InChIKeyPDYVPVSCEXQWOK-UHFFFAOYSA-N
XLogP0.78
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate (CID 4994257) is ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate is CCOC(=O)Cc1nc(C)n(CC(=O)OCC)c(=O)c1CC.
What is the InChIKey of ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate?
The InChIKey is PDYVPVSCEXQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-5-11-12(8-13(18)21-6-2)16-10(4)17(15(11)20)9-14(19)22-7-3/h5-9H2,1-4H3.
What are the key properties of ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate?
ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate has a molecular weight of 310.35 g/mol, XLogP of 0.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate is sourced from PubChem (CID 4994257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).