2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol

C17H22N4O2 — CID 71972826

IUPAC2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C17H22N4O2/c22-8-5-14-1-3-16(4-2-14)18-11-15-12-19-17(20-13-15)21-6-9-23-10-7-21/h1-4,12-13,18,22H,5-11H2
InChIKeyFBOISZFQCYYOFD-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.46
Rot. Bonds6

About 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol

2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol (PubChem CID 71972826) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol
PubChem CID71972826
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C17H22N4O2/c22-8-5-14-1-3-16(4-2-14)18-11-15-12-19-17(20-13-15)21-6-9-23-10-7-21/h1-4,12-13,18,22H,5-11H2
InChIKeyFBOISZFQCYYOFD-UHFFFAOYSA-N
XLogP1.46
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol (CID 71972826) is 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol is OCCc1ccc(NCc2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol?
The InChIKey is FBOISZFQCYYOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-8-5-14-1-3-16(4-2-14)18-11-15-12-19-17(20-13-15)21-6-9-23-10-7-21/h1-4,12-13,18,22H,5-11H2.
What are the key properties of 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol?
2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol has a molecular weight of 314.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 71972826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).