ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate

C24H20N2O4 — CID 135932177

IUPACethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccccc2)nc(-c2ccc3cc(O)ccc3c2)n1
InChIInChI=1S/C24H20N2O4/c1-2-29-23(28)15-30-22-14-21(16-6-4-3-5-7-16)25-24(26-22)19-9-8-18-13-20(27)11-10-17(18)12-19/h3-14,27H,2,15H2,1H3
InChIKeyKPNBNLZWEKGBEE-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.61
Rot. Bonds6

About ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate

ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate (PubChem CID 135932177) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
PubChem CID135932177
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Nameethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccccc2)nc(-c2ccc3cc(O)ccc3c2)n1
InChIInChI=1S/C24H20N2O4/c1-2-29-23(28)15-30-22-14-21(16-6-4-3-5-7-16)25-24(26-22)19-9-8-18-13-20(27)11-10-17(18)12-19/h3-14,27H,2,15H2,1H3
InChIKeyKPNBNLZWEKGBEE-UHFFFAOYSA-N
XLogP4.61
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxybutanoate
CID 135932191
ethyl 2-[2-[6-(2-chloroethoxy)naphthalen-2-yl]-6-phenylpyrimidin-4-yl]oxyacetate
CID 91990722
benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate
CID 135449938
sodium 4-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxybutanoate
CID 135932192
2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid
CID 24886588
ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate
CID 58134196
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
ethyl 2-[4-[6-[4-(2-ethoxy-2-oxoethoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]-2-pyridinyl]phenoxy]acetate;hydrochloride
CID 70301170
2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid
CID 135409286
2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid
CID 10177050
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate (CID 135932177) is ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate is CCOC(=O)COc1cc(-c2ccccc2)nc(-c2ccc3cc(O)ccc3c2)n1.
What is the InChIKey of ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate?
The InChIKey is KPNBNLZWEKGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-29-23(28)15-30-22-14-21(16-6-4-3-5-7-16)25-24(26-22)19-9-8-18-13-20(27)11-10-17(18)12-19/h3-14,27H,2,15H2,1H3.
What are the key properties of ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate?
ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate has a molecular weight of 400.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate is sourced from PubChem (CID 135932177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).