2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol

C15H17F2N3O — CID 155820845

IUPAC2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol
SMILESCc1cnc(C(Cc2ccc(F)cc2F)NCCO)nc1
InChIInChI=1S/C15H17F2N3O/c1-10-8-19-15(20-9-10)14(18-4-5-21)6-11-2-3-12(16)7-13(11)17/h2-3,7-9,14,18,21H,4-6H2,1H3
InChIKeyJKQSCWDDKIOARF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds6

About 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol

2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol (PubChem CID 155820845) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol
PubChem CID155820845
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol
SMILESCc1cnc(C(Cc2ccc(F)cc2F)NCCO)nc1
InChIInChI=1S/C15H17F2N3O/c1-10-8-19-15(20-9-10)14(18-4-5-21)6-11-2-3-12(16)7-13(11)17/h2-3,7-9,14,18,21H,4-6H2,1H3
InChIKeyJKQSCWDDKIOARF-UHFFFAOYSA-N
XLogP1.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol (CID 155820845) is 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol is Cc1cnc(C(Cc2ccc(F)cc2F)NCCO)nc1.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol?
The InChIKey is JKQSCWDDKIOARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10-8-19-15(20-9-10)14(18-4-5-21)6-11-2-3-12(16)7-13(11)17/h2-3,7-9,14,18,21H,4-6H2,1H3.
What are the key properties of 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol?
2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol has a molecular weight of 293.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol is sourced from PubChem (CID 155820845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).