(1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol

C20H17F4N3O — CID 68640974

IUPAC(1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol
SMILESCc1c(NC[C@H](O)c2ccccc2)ncnc1-c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C20H17F4N3O/c1-12-18(14-8-5-9-15(21)17(14)20(22,23)24)26-11-27-19(12)25-10-16(28)13-6-3-2-4-7-13/h2-9,11,16,28H,10H2,1H3,(H,25,26,27)/t16-/m0/s1
InChIKeyBAYPGUNAEUZWFA-INIZCTEOSA-N
MW391.37 g/mol
LogP4.76
Rot. Bonds5

About (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol

(1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 68640974) has the molecular formula C20H17F4N3O and a molecular weight of 391.37 g/mol. Its IUPAC name is (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID68640974
Molecular FormulaC20H17F4N3O
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name(1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol
SMILESCc1c(NC[C@H](O)c2ccccc2)ncnc1-c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C20H17F4N3O/c1-12-18(14-8-5-9-15(21)17(14)20(22,23)24)26-11-27-19(12)25-10-16(28)13-6-3-2-4-7-13/h2-9,11,16,28H,10H2,1H3,(H,25,26,27)/t16-/m0/s1
InChIKeyBAYPGUNAEUZWFA-INIZCTEOSA-N
XLogP4.76
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol with MolForge

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Related Compounds

N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80778733
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779814
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol
CID 107644490
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80907262
2-[[6-[2,4-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 74950973
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol (CID 68640974) is (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol is Cc1c(NC[C@H](O)c2ccccc2)ncnc1-c1cccc(F)c1C(F)(F)F.
What is the InChIKey of (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is BAYPGUNAEUZWFA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17F4N3O/c1-12-18(14-8-5-9-15(21)17(14)20(22,23)24)26-11-27-19(12)25-10-16(28)13-6-3-2-4-7-13/h2-9,11,16,28H,10H2,1H3,(H,25,26,27)/t16-/m0/s1.
What are the key properties of (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol?
(1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 391.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 68640974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).