3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol

C18H22N4O3 — CID 50908576

IUPAC3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol
SMILESOc1cccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H22N4O3/c23-15-3-1-2-14(12-15)16-13-17(21-4-8-24-9-5-21)20-18(19-16)22-6-10-25-11-7-22/h1-3,12-13,23H,4-11H2
InChIKeyARZAJNHUSIECBT-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.52
Rot. Bonds3

About 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol

3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol (PubChem CID 50908576) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol
PubChem CID50908576
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol
SMILESOc1cccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H22N4O3/c23-15-3-1-2-14(12-15)16-13-17(21-4-8-24-9-5-21)20-18(19-16)22-6-10-25-11-7-22/h1-3,12-13,23H,4-11H2
InChIKeyARZAJNHUSIECBT-UHFFFAOYSA-N
XLogP1.52
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol?
The IUPAC name of 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol (CID 50908576) is 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol?
The canonical SMILES for 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol is Oc1cccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol?
The InChIKey is ARZAJNHUSIECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-15-3-1-2-14(12-15)16-13-17(21-4-8-24-9-5-21)20-18(19-16)22-6-10-25-11-7-22/h1-3,12-13,23H,4-11H2.
What are the key properties of 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol?
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol has a molecular weight of 342.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenol is sourced from PubChem (CID 50908576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).