2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate

C23H26N4O9 — CID 141043320

IUPAC2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate
SMILESCCOC(=O)OCCc1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C23H26N4O9/c1-6-33-23(28)34-11-10-14-15(35-21-24-17(29-2)12-18(25-21)30-3)8-7-9-16(14)36-22-26-19(31-4)13-20(27-22)32-5/h7-9,12-13H,6,10-11H2,1-5H3
InChIKeyYJNYLINHVUEJLK-UHFFFAOYSA-N
MW502.48 g/mol
LogP3.60
Rot. Bonds12

About 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate

2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate (PubChem CID 141043320) has the molecular formula C23H26N4O9 and a molecular weight of 502.48 g/mol. Its IUPAC name is 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate.

Molecular Properties

Compound Name2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate
PubChem CID141043320
Molecular FormulaC23H26N4O9
Molecular Weight502.48 g/mol
Exact Mass502.17
IUPAC Name2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate
SMILESCCOC(=O)OCCc1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C23H26N4O9/c1-6-33-23(28)34-11-10-14-15(35-21-24-17(29-2)12-18(25-21)30-3)8-7-9-16(14)36-22-26-19(31-4)13-20(27-22)32-5/h7-9,12-13H,6,10-11H2,1-5H3
InChIKeyYJNYLINHVUEJLK-UHFFFAOYSA-N
XLogP3.60
TPSA142.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
2-[2-[2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorophenyl]ethoxy]ethyl]-3-fluorophenoxy]-4,6-dimethoxypyrimidine
CID 139604836
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
disodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;hydride
CID 173060137
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pentylbenzoic acid
CID 67737510
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate
CID 11038187
2-chloroethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425856
2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine
CID 141092576
diethyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pentanedioate
CID 3576006

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate?
The IUPAC name of 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate (CID 141043320) is 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate.
What is the SMILES notation for 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate?
The canonical SMILES for 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate is CCOC(=O)OCCc1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate?
The InChIKey is YJNYLINHVUEJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O9/c1-6-33-23(28)34-11-10-14-15(35-21-24-17(29-2)12-18(25-21)30-3)8-7-9-16(14)36-22-26-19(31-4)13-20(27-22)32-5/h7-9,12-13H,6,10-11H2,1-5H3.
What are the key properties of 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate?
2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate has a molecular weight of 502.48 g/mol, XLogP of 3.60, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate is sourced from PubChem (CID 141043320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).