ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate

C16H19N3O5 — CID 67893398

IUPACethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(COc1nc(OC)cc(OC)n1)c1ccccn1
InChIInChI=1S/C16H19N3O5/c1-4-23-15(20)11(12-7-5-6-8-17-12)10-24-16-18-13(21-2)9-14(19-16)22-3/h5-9,11H,4,10H2,1-3H3
InChIKeyOQTDPAUYGVQVJB-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.61
Rot. Bonds8

About ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate

ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate (PubChem CID 67893398) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate
PubChem CID67893398
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Nameethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(COc1nc(OC)cc(OC)n1)c1ccccn1
InChIInChI=1S/C16H19N3O5/c1-4-23-15(20)11(12-7-5-6-8-17-12)10-24-16-18-13(21-2)9-14(19-16)22-3/h5-9,11H,4,10H2,1-3H3
InChIKeyOQTDPAUYGVQVJB-UHFFFAOYSA-N
XLogP1.61
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate
CID 11038187
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
methyl 2-pyridin-2-yl-3-sulfanylpropanoate
CID 117241525
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241497
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250
diethyl 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedioate
CID 104573497
(3-hydroxy-2-pyridin-2-ylpropyl) acetate
CID 22101011
ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 15812390
ethyl (E)-4-[[(Z)-3-methoxy-1-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylbut-3-enoate
CID 101123388

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate (CID 67893398) is ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate is CCOC(=O)C(COc1nc(OC)cc(OC)n1)c1ccccn1.
What is the InChIKey of ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate?
The InChIKey is OQTDPAUYGVQVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-4-23-15(20)11(12-7-5-6-8-17-12)10-24-16-18-13(21-2)9-14(19-16)22-3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate?
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate has a molecular weight of 333.34 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 67893398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).