diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate

C20H26N4O10 — CID 11038187

IUPACdiethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate
SMILESCCOC(=O)[C@H](Oc1nc(OC)cc(OC)n1)[C@@H](Oc1nc(OC)cc(OC)n1)C(=O)OCC
InChIInChI=1S/C20H26N4O10/c1-7-31-17(25)15(33-19-21-11(27-3)9-12(22-19)28-4)16(18(26)32-8-2)34-20-23-13(29-5)10-14(24-20)30-6/h9-10,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1
InChIKeyGSMPXNGRLWZBMK-HZPDHXFCSA-N
MW482.45 g/mol
LogP0.62
Rot. Bonds13

About diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate

diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate (PubChem CID 11038187) has the molecular formula C20H26N4O10 and a molecular weight of 482.45 g/mol. Its IUPAC name is diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate.

Molecular Properties

Compound Namediethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate
PubChem CID11038187
Molecular FormulaC20H26N4O10
Molecular Weight482.45 g/mol
Exact Mass482.16
IUPAC Namediethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate
SMILESCCOC(=O)[C@H](Oc1nc(OC)cc(OC)n1)[C@@H](Oc1nc(OC)cc(OC)n1)C(=O)OCC
InChIInChI=1S/C20H26N4O10/c1-7-31-17(25)15(33-19-21-11(27-3)9-12(22-19)28-4)16(18(26)32-8-2)34-20-23-13(29-5)10-14(24-20)30-6/h9-10,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1
InChIKeyGSMPXNGRLWZBMK-HZPDHXFCSA-N
XLogP0.62
TPSA159.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one
CID 160694361
ethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbut-2-enoate
CID 54461614
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate
CID 15676624
diethyl 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedioate
CID 104573497
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-pyridin-2-ylpropanoate
CID 67893398
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
CID 67674533
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)-3-oxopropanoate
CID 59864605
(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate
CID 6920360
tert-butyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbutanoyl]amino]propanoate
CID 4096292
2-(4,6-dimethoxypyrimidin-2-yl)oxy-2,3-dimethylbutanoic acid;methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbutanoate
CID 158464839
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate
CID 141043320

Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate?
The IUPAC name of diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate (CID 11038187) is diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate.
What is the SMILES notation for diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate?
The canonical SMILES for diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate is CCOC(=O)[C@H](Oc1nc(OC)cc(OC)n1)[C@@H](Oc1nc(OC)cc(OC)n1)C(=O)OCC.
What is the InChIKey of diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate?
The InChIKey is GSMPXNGRLWZBMK-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H26N4O10/c1-7-31-17(25)15(33-19-21-11(27-3)9-12(22-19)28-4)16(18(26)32-8-2)34-20-23-13(29-5)10-14(24-20)30-6/h9-10,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1.
What are the key properties of diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate?
diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate has a molecular weight of 482.45 g/mol, XLogP of 0.62, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate is sourced from PubChem (CID 11038187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).