ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate

C13H18N2O5 — CID 103484799

IUPACethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cn1c(OC)nc(C)cc1=O
InChIInChI=1S/C13H18N2O5/c1-4-20-12(18)6-5-10(16)8-15-11(17)7-9(2)14-13(15)19-3/h7H,4-6,8H2,1-3H3
InChIKeyXMTAQYWHZUCTDZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.47
Rot. Bonds7

About ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate

ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate (PubChem CID 103484799) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate
PubChem CID103484799
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cn1c(OC)nc(C)cc1=O
InChIInChI=1S/C13H18N2O5/c1-4-20-12(18)6-5-10(16)8-15-11(17)7-9(2)14-13(15)19-3/h7H,4-6,8H2,1-3H3
InChIKeyXMTAQYWHZUCTDZ-UHFFFAOYSA-N
XLogP0.47
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate (CID 103484799) is ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)Cn1c(OC)nc(C)cc1=O.
What is the InChIKey of ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate?
The InChIKey is XMTAQYWHZUCTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-20-12(18)6-5-10(16)8-15-11(17)7-9(2)14-13(15)19-3/h7H,4-6,8H2,1-3H3.
What are the key properties of ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate?
ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate has a molecular weight of 282.30 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate is sourced from PubChem (CID 103484799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).