2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

C19H17F3N4O — CID 44530280

IUPAC2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNc1ccnc(Nc2ccccc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)14-6-4-5-13(11-14)16(27)12-24-17-9-10-23-18(26-17)25-15-7-2-1-3-8-15/h1-11,16,27H,12H2,(H2,23,24,25,26)
InChIKeyZKCXVLUPUIIXKC-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.38
Rot. Bonds6

About 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 44530280) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID44530280
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNc1ccnc(Nc2ccccc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)14-6-4-5-13(11-14)16(27)12-24-17-9-10-23-18(26-17)25-15-7-2-1-3-8-15/h1-11,16,27H,12H2,(H2,23,24,25,26)
InChIKeyZKCXVLUPUIIXKC-UHFFFAOYSA-N
XLogP4.38
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9470
Phenyramidol Hydrochloride
CID 9469
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CID 5329428
Fenyripol Hydrochloride
CID 17118
1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-ol
CID 11523411
2-(dimethylamino)-N-[3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 24823021
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
2-[[2-(3-Chloroanilino)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)ethanol
CID 24824534
2-[[6-(4-Chlorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44203731
2-[[6-(3-Chlorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44203732
3-[2-[[6-[3-Chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-hydroxyethyl]benzonitrile
CID 44203934
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 44530280) is 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CNc1ccnc(Nc2ccccc2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ZKCXVLUPUIIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)14-6-4-5-13(11-14)16(27)12-24-17-9-10-23-18(26-17)25-15-7-2-1-3-8-15/h1-11,16,27H,12H2,(H2,23,24,25,26).
What are the key properties of 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 374.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 44530280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).