ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate

C18H16N4O3 — CID 141300401

IUPACethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2nc(-c3cccnc3)ncc2N)cc1
InChIInChI=1S/C18H16N4O3/c1-2-24-18(23)12-5-7-14(8-6-12)25-17-15(19)11-21-16(22-17)13-4-3-9-20-10-13/h3-11H,2,19H2,1H3
InChIKeyUZLCZHIEFGOQBD-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.09
Rot. Bonds5

About ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate

ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate (PubChem CID 141300401) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate
PubChem CID141300401
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Nameethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2nc(-c3cccnc3)ncc2N)cc1
InChIInChI=1S/C18H16N4O3/c1-2-24-18(23)12-5-7-14(8-6-12)25-17-15(19)11-21-16(22-17)13-4-3-9-20-10-13/h3-11H,2,19H2,1H3
InChIKeyUZLCZHIEFGOQBD-UHFFFAOYSA-N
XLogP3.09
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
CID 141300393
benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate
CID 58247431
ethyl 4-(chloromethyl)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 102973435
ethyl 4-[(2-pyridin-3-ylpyrimidin-4-yl)amino]benzoate
CID 90353161
ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate
CID 135235779
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
ethyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]benzoate
CID 140963794
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate?
The IUPAC name of ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate (CID 141300401) is ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate.
What is the SMILES notation for ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate?
The canonical SMILES for ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate is CCOC(=O)c1ccc(Oc2nc(-c3cccnc3)ncc2N)cc1.
What is the InChIKey of ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate?
The InChIKey is UZLCZHIEFGOQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-2-24-18(23)12-5-7-14(8-6-12)25-17-15(19)11-21-16(22-17)13-4-3-9-20-10-13/h3-11H,2,19H2,1H3.
What are the key properties of ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate?
ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate has a molecular weight of 336.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate is sourced from PubChem (CID 141300401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).