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

C14H22N2O4 — CID 79367406

IUPACethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C14H22N2O4/c1-4-20-13(18)8-6-5-7-9-16-12(17)10-11(2)15-14(16)19-3/h10H,4-9H2,1-3H3
InChIKeyYZADVUWYEPQNOC-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.68
Rot. Bonds8

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

ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate (PubChem CID 79367406) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate
PubChem CID79367406
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C14H22N2O4/c1-4-20-13(18)8-6-5-7-9-16-12(17)10-11(2)15-14(16)19-3/h10H,4-9H2,1-3H3
InChIKeyYZADVUWYEPQNOC-UHFFFAOYSA-N
XLogP1.68
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate?
The IUPAC name of ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate (CID 79367406) is ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate is CCOC(=O)CCCCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate?
The InChIKey is YZADVUWYEPQNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-20-13(18)8-6-5-7-9-16-12(17)10-11(2)15-14(16)19-3/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate?
ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate has a molecular weight of 282.34 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoate is sourced from PubChem (CID 79367406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).