2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol

C19H21N5O4 — CID 11997784

IUPAC2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol
SMILESCOc1cc(-c2cn(-c3ccnc(N4CCOCC4)n3)cn2)cc(OC)c1O
InChIInChI=1S/C19H21N5O4/c1-26-15-9-13(10-16(27-2)18(15)25)14-11-24(12-21-14)17-3-4-20-19(22-17)23-5-7-28-8-6-23/h3-4,9-12,25H,5-8H2,1-2H3
InChIKeyGTNXCXZEXOYXLC-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.89
Rot. Bonds5

About 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol

2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol (PubChem CID 11997784) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol
PubChem CID11997784
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol
SMILESCOc1cc(-c2cn(-c3ccnc(N4CCOCC4)n3)cn2)cc(OC)c1O
InChIInChI=1S/C19H21N5O4/c1-26-15-9-13(10-16(27-2)18(15)25)14-11-24(12-21-14)17-3-4-20-19(22-17)23-5-7-28-8-6-23/h3-4,9-12,25H,5-8H2,1-2H3
InChIKeyGTNXCXZEXOYXLC-UHFFFAOYSA-N
XLogP1.89
TPSA94.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol (CID 11997784) is 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol is COc1cc(-c2cn(-c3ccnc(N4CCOCC4)n3)cn2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol?
The InChIKey is GTNXCXZEXOYXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-15-9-13(10-16(27-2)18(15)25)14-11-24(12-21-14)17-3-4-20-19(22-17)23-5-7-28-8-6-23/h3-4,9-12,25H,5-8H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol?
2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol has a molecular weight of 383.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[1-(2-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]phenol is sourced from PubChem (CID 11997784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).