1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol

C17H20FN3O2 — CID 146139702

IUPAC1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol
SMILESOC(CNC1(c2ncccn2)CCOCC1)c1ccccc1F
InChIInChI=1S/C17H20FN3O2/c18-14-5-2-1-4-13(14)15(22)12-21-17(6-10-23-11-7-17)16-19-8-3-9-20-16/h1-5,8-9,15,21-22H,6-7,10-12H2
InChIKeyFRHGZNILGQSCHX-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.94
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol

1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol (PubChem CID 146139702) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol
PubChem CID146139702
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol
SMILESOC(CNC1(c2ncccn2)CCOCC1)c1ccccc1F
InChIInChI=1S/C17H20FN3O2/c18-14-5-2-1-4-13(14)15(22)12-21-17(6-10-23-11-7-17)16-19-8-3-9-20-16/h1-5,8-9,15,21-22H,6-7,10-12H2
InChIKeyFRHGZNILGQSCHX-UHFFFAOYSA-N
XLogP1.94
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol (CID 146139702) is 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol is OC(CNC1(c2ncccn2)CCOCC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol?
The InChIKey is FRHGZNILGQSCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-5-2-1-4-13(14)15(22)12-21-17(6-10-23-11-7-17)16-19-8-3-9-20-16/h1-5,8-9,15,21-22H,6-7,10-12H2.
What are the key properties of 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol?
1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol has a molecular weight of 317.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol is sourced from PubChem (CID 146139702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).