methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate

C13H14N2O4 — CID 117060622

IUPACmethyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1cccn2c(=O)cc(C)nc12
InChIInChI=1S/C13H14N2O4/c1-8-7-11(16)15-6-4-5-10(12(15)14-8)19-9(2)13(17)18-3/h4-7,9H,1-3H3
InChIKeyUUIZOWASJCFBIC-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.94
Rot. Bonds3

About methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate

methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate (PubChem CID 117060622) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate
PubChem CID117060622
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Namemethyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1cccn2c(=O)cc(C)nc12
InChIInChI=1S/C13H14N2O4/c1-8-7-11(16)15-6-4-5-10(12(15)14-8)19-9(2)13(17)18-3/h4-7,9H,1-3H3
InChIKeyUUIZOWASJCFBIC-UHFFFAOYSA-N
XLogP0.94
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate?
The IUPAC name of methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate (CID 117060622) is methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate?
The canonical SMILES for methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate is COC(=O)C(C)Oc1cccn2c(=O)cc(C)nc12.
What is the InChIKey of methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate?
The InChIKey is UUIZOWASJCFBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-7-11(16)15-6-4-5-10(12(15)14-8)19-9(2)13(17)18-3/h4-7,9H,1-3H3.
What are the key properties of methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate?
methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate has a molecular weight of 262.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate is sourced from PubChem (CID 117060622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).