4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol

C24H28N4O6 — CID 135911704

IUPAC4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc(OC)c1O
InChIInChI=1S/C24H28N4O6/c1-30-20-13-16(14-21(31-2)23(20)29)18-3-4-19(34-18)17-15-22(27-5-9-32-10-6-27)26-24(25-17)28-7-11-33-12-8-28/h3-4,13-15,29H,5-12H2,1-2H3
InChIKeyUWALXXDIVYDBPB-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.80
Rot. Bonds6

About 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol

4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol (PubChem CID 135911704) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol
PubChem CID135911704
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc(OC)c1O
InChIInChI=1S/C24H28N4O6/c1-30-20-13-16(14-21(31-2)23(20)29)18-3-4-19(34-18)17-15-22(27-5-9-32-10-6-27)26-24(25-17)28-7-11-33-12-8-28/h3-4,13-15,29H,5-12H2,1-2H3
InChIKeyUWALXXDIVYDBPB-UHFFFAOYSA-N
XLogP2.80
TPSA102.55 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol (CID 135911704) is 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol is COc1cc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc(OC)c1O.
What is the InChIKey of 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol?
The InChIKey is UWALXXDIVYDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-30-20-13-16(14-21(31-2)23(20)29)18-3-4-19(34-18)17-15-22(27-5-9-32-10-6-27)26-24(25-17)28-7-11-33-12-8-28/h3-4,13-15,29H,5-12H2,1-2H3.
What are the key properties of 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol?
4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol has a molecular weight of 468.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135911704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).