2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

C20H23F3N6O — CID 162596572

IUPAC2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESC=CC1=C(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)CCCC1O
InChIInChI=1S/C20H23F3N6O/c1-4-13-14(6-5-7-15(13)30)17-27-18(25-11(2)3)29-19(28-17)26-12-8-9-24-16(10-12)20(21,22)23/h4,8-11,15,30H,1,5-7H2,2-3H3,(H2,24,25,26,27,28,29)
InChIKeyRFBNAIBAAVWOMZ-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.33
Rot. Bonds6

About 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (PubChem CID 162596572) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
PubChem CID162596572
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC Name2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESC=CC1=C(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)CCCC1O
InChIInChI=1S/C20H23F3N6O/c1-4-13-14(6-5-7-15(13)30)17-27-18(25-11(2)3)29-19(28-17)26-12-8-9-24-16(10-12)20(21,22)23/h4,8-11,15,30H,1,5-7H2,2-3H3,(H2,24,25,26,27,28,29)
InChIKeyRFBNAIBAAVWOMZ-UHFFFAOYSA-N
XLogP4.33
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-ethenyl-3-[4-(propan-2-ylamino)-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-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
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
1,2,2-trifluoro-1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol
CID 175286731
2-N-propan-2-yl-4-N-(2-propan-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123317043
2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469190
4-N-[2-(4-chlorophenyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146258670
(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-N-(1-methylcyclobutyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 161264106
6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 71622873
N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 10944517
4,6-dichloro-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 122677423
1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]cyclopentan-1-ol
CID 175798155

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The IUPAC name of 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) is 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.
What is the SMILES notation for 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The canonical SMILES for 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is C=CC1=C(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)CCCC1O.
What is the InChIKey of 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The InChIKey is RFBNAIBAAVWOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O/c1-4-13-14(6-5-7-15(13)30)17-27-18(25-11(2)3)29-19(28-17)26-12-8-9-24-16(10-12)20(21,22)23/h4,8-11,15,30H,1,5-7H2,2-3H3,(H2,24,25,26,27,28,29).
What are the key properties of 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol has a molecular weight of 420.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is sourced from PubChem (CID 162596572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).