2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

C19H22F4N6O2 — CID 138469230

IUPAC2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESCC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(C2=C(F)C(O)CCC2)n1
InChIInChI=1S/C19H22F4N6O2/c1-18(2,31)9-25-16-27-15(11-4-3-5-12(30)14(11)20)28-17(29-16)26-10-6-7-24-13(8-10)19(21,22)23/h6-8,12,30-31H,3-5,9H2,1-2H3,(H2,24,25,26,27,28,29)
InChIKeyXIIBVPROBDSVKZ-UHFFFAOYSA-N
MW442.42 g/mol
LogP3.44
Rot. Bonds6

About 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (PubChem CID 138469230) has the molecular formula C19H22F4N6O2 and a molecular weight of 442.42 g/mol. Its IUPAC name is 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
PubChem CID138469230
Molecular FormulaC19H22F4N6O2
Molecular Weight442.42 g/mol
Exact Mass442.17
IUPAC Name2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESCC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(C2=C(F)C(O)CCC2)n1
InChIInChI=1S/C19H22F4N6O2/c1-18(2,31)9-25-16-27-15(11-4-3-5-12(30)14(11)20)28-17(29-16)26-10-6-7-24-13(8-10)19(21,22)23/h6-8,12,30-31H,3-5,9H2,1-2H3,(H2,24,25,26,27,28,29)
InChIKeyXIIBVPROBDSVKZ-UHFFFAOYSA-N
XLogP3.44
TPSA116.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol with MolForge

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Related Compounds

2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 162596572
(1S)-1-deuterio-2,6,6-trifluoro-3-[4-[(2-methylpropan-2-yl)oxyamino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 159014984
2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469341
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
2-methyl-1-[methyl-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 122677416
4-N-[(1-methylcyclobutyl)methyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 161264107
2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol
CID 134197873
4-N-(3-methoxypropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 122653170
2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol
CID 159539389
3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 175798156
4-[[4-(2,2-dimethylpropylamino)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile
CID 122663732
(1S)-2-fluoro-3-[4-(1,1,1-trifluoropropan-2-ylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohept-2-en-1-ol
CID 162445395

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The IUPAC name of 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (CID 138469230) is 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.
What is the SMILES notation for 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The canonical SMILES for 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(C2=C(F)C(O)CCC2)n1.
What is the InChIKey of 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The InChIKey is XIIBVPROBDSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N6O2/c1-18(2,31)9-25-16-27-15(11-4-3-5-12(30)14(11)20)28-17(29-16)26-10-6-7-24-13(8-10)19(21,22)23/h6-8,12,30-31H,3-5,9H2,1-2H3,(H2,24,25,26,27,28,29).
What are the key properties of 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol has a molecular weight of 442.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is sourced from PubChem (CID 138469230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).