2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol

C13H11ClF3N3O — CID 114562246

IUPAC2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESOC(CNc1cc(C(F)(F)F)nc(Cl)n1)c1ccccc1
InChIInChI=1S/C13H11ClF3N3O/c14-12-19-10(13(15,16)17)6-11(20-12)18-7-9(21)8-4-2-1-3-5-8/h1-6,9,21H,7H2,(H,18,19,20)
InChIKeyMFFMYOTVILYXDY-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.29
Rot. Bonds4

About 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol

2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 114562246) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID114562246
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESOC(CNc1cc(C(F)(F)F)nc(Cl)n1)c1ccccc1
InChIInChI=1S/C13H11ClF3N3O/c14-12-19-10(13(15,16)17)6-11(20-12)18-7-9(21)8-4-2-1-3-5-8/h1-6,9,21H,7H2,(H,18,19,20)
InChIKeyMFFMYOTVILYXDY-UHFFFAOYSA-N
XLogP3.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol
CID 106197136
1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
CID 43502422
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 87727171
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779813
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
(1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 100625958
1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol
CID 2795915

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol (CID 114562246) is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol is OC(CNc1cc(C(F)(F)F)nc(Cl)n1)c1ccccc1.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is MFFMYOTVILYXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c14-12-19-10(13(15,16)17)6-11(20-12)18-7-9(21)8-4-2-1-3-5-8/h1-6,9,21H,7H2,(H,18,19,20).
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 317.70 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 114562246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).