(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C18H21F3N4O2 — CID 124549015

IUPAC(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESO[C@@H](CNCc1cnc(N2CCOCC2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)15-3-1-2-14(8-15)16(26)12-22-9-13-10-23-17(24-11-13)25-4-6-27-7-5-25/h1-3,8,10-11,16,22,26H,4-7,9,12H2/t16-/m0/s1
InChIKeyCECRSNAJQZBVTM-INIZCTEOSA-N
MW382.39 g/mol
LogP2.16
Rot. Bonds6

About (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 124549015) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID124549015
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESO[C@@H](CNCc1cnc(N2CCOCC2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)15-3-1-2-14(8-15)16(26)12-22-9-13-10-23-17(24-11-13)25-4-6-27-7-5-25/h1-3,8,10-11,16,22,26H,4-7,9,12H2/t16-/m0/s1
InChIKeyCECRSNAJQZBVTM-INIZCTEOSA-N
XLogP2.16
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol with MolForge

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Related Compounds

Bmy-14802
CID 108046
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)pyrimidin-2-amine
CID 52945787
Fenyripol Hydrochloride
CID 17118
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
(R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 6604868
4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 10476595
2-[[2-[3-(2-Morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530119
3-[[4-[[2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-2-yl]amino]benzonitrile
CID 44530272
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530274
2-[[2-(4-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530275
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530280
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530290

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 124549015) is (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is O[C@@H](CNCc1cnc(N2CCOCC2)nc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CECRSNAJQZBVTM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c19-18(20,21)15-3-1-2-14(8-15)16(26)12-22-9-13-10-23-17(24-11-13)25-4-6-27-7-5-25/h1-3,8,10-11,16,22,26H,4-7,9,12H2/t16-/m0/s1.
What are the key properties of (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 382.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 124549015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).