[2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol

C17H21N3O2 — CID 50964818

IUPAC[2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol
SMILESCCc1cc(-c2ccccc2CO)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N3O2/c1-2-14-11-16(15-6-4-3-5-13(15)12-21)19-17(18-14)20-7-9-22-10-8-20/h3-6,11,21H,2,7-10,12H2,1H3
InChIKeyJJMKQCPORZPBBT-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.03
Rot. Bonds4

About [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol

[2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol (PubChem CID 50964818) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol
PubChem CID50964818
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol
SMILESCCc1cc(-c2ccccc2CO)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N3O2/c1-2-14-11-16(15-6-4-3-5-13(15)12-21)19-17(18-14)20-7-9-22-10-8-20/h3-6,11,21H,2,7-10,12H2,1H3
InChIKeyJJMKQCPORZPBBT-UHFFFAOYSA-N
XLogP2.03
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol?
The IUPAC name of [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol (CID 50964818) is [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol.
What is the SMILES notation for [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol?
The canonical SMILES for [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol is CCc1cc(-c2ccccc2CO)nc(N2CCOCC2)n1.
What is the InChIKey of [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol?
The InChIKey is JJMKQCPORZPBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-14-11-16(15-6-4-3-5-13(15)12-21)19-17(18-14)20-7-9-22-10-8-20/h3-6,11,21H,2,7-10,12H2,1H3.
What are the key properties of [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol?
[2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol has a molecular weight of 299.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 50964818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).