ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate

C14H16N2O3 — CID 599304

IUPACethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
SMILESCCOC(=O)CCc1cnc2cccc(C)n2c1=O
InChIInChI=1S/C14H16N2O3/c1-3-19-13(17)8-7-11-9-15-12-6-4-5-10(2)16(12)14(11)18/h4-6,9H,3,7-8H2,1-2H3
InChIKeyQFRPXRGYTOYELI-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.50
Rot. Bonds4

About ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate

ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate (PubChem CID 599304) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
PubChem CID599304
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
SMILESCCOC(=O)CCc1cnc2cccc(C)n2c1=O
InChIInChI=1S/C14H16N2O3/c1-3-19-13(17)8-7-11-9-15-12-6-4-5-10(2)16(12)14(11)18/h4-6,9H,3,7-8H2,1-2H3
InChIKeyQFRPXRGYTOYELI-UHFFFAOYSA-N
XLogP1.50
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
CID 3079295
ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxycarbonylamino]propanoate
CID 67838501
ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate
CID 166003368
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
2-(5-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 39150066
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate
CID 139770420
ethyl 3-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]propanoate
CID 71252994
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate
CID 122145273
ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
CID 59684927
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate?
The IUPAC name of ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate (CID 599304) is ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate is CCOC(=O)CCc1cnc2cccc(C)n2c1=O.
What is the InChIKey of ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate?
The InChIKey is QFRPXRGYTOYELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-19-13(17)8-7-11-9-15-12-6-4-5-10(2)16(12)14(11)18/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate?
ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate is sourced from PubChem (CID 599304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).