2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol

C17H21F3N6O2 — CID 23648032

IUPAC2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(C(F)(F)F)cc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C17H21F3N6O2/c1-28-13-5-4-11(17(18,19)20)10-12(13)22-15-23-14(21-6-9-27)24-16(25-15)26-7-2-3-8-26/h4-5,10,27H,2-3,6-9H2,1H3,(H2,21,22,23,24,25)
InChIKeyQMCHISMLXLNWOA-UHFFFAOYSA-N
MW398.39 g/mol
LogP2.65
Rot. Bonds7

About 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648032) has the molecular formula C17H21F3N6O2 and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648032
Molecular FormulaC17H21F3N6O2
Molecular Weight398.39 g/mol
Exact Mass398.17
IUPAC Name2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(C(F)(F)F)cc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C17H21F3N6O2/c1-28-13-5-4-11(17(18,19)20)10-12(13)22-15-23-14(21-6-9-27)24-16(25-15)26-7-2-3-8-26/h4-5,10,27H,2-3,6-9H2,1H3,(H2,21,22,23,24,25)
InChIKeyQMCHISMLXLNWOA-UHFFFAOYSA-N
XLogP2.65
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-[[2-(1,1-Dimethylethoxy)phenyl]amino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 17757274
2-[[4-(2-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648021
2-[[4-(4-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648023
2-({4-[(2-Ethoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648025
2-[[4-(2-Phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648026
2-({4-[(2-Hydroxyethyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)-4-phenylphenol
CID 23648035
1-({4-[(2-Methoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)-3-phenylpropan-2-ol
CID 23648011
2-{[4-(Butylamino)-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 23648013
2-{[4-(3,3-Difluoropyrrolidin-1-yl)-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 23648015
2-{[4-(Azetidin-1-yl)-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 23648016
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
CID 23648028
2-({4-[(2,5-Dimethoxyphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648030

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648032) is 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is COc1ccc(C(F)(F)F)cc1Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is QMCHISMLXLNWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O2/c1-28-13-5-4-11(17(18,19)20)10-12(13)22-15-23-14(21-6-9-27)24-16(25-15)26-7-2-3-8-26/h4-5,10,27H,2-3,6-9H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 398.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-methoxy-5-(trifluoromethyl)anilino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).