1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol

C21H24F3N7O — CID 149101646

IUPAC1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C)n2)n1
InChIInChI=1S/C21H24F3N7O/c1-5-31(12-20(3,4)32)19-29-17(15-8-6-7-13(2)26-15)28-18(30-19)27-14-9-10-25-16(11-14)21(22,23)24/h6-11,32H,5,12H2,1-4H3,(H,25,27,28,29,30)
InChIKeyQUSZRUBSVURKPD-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.00
Rot. Bonds7

About 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol

1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 149101646) has the molecular formula C21H24F3N7O and a molecular weight of 447.47 g/mol. Its IUPAC name is 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
PubChem CID149101646
Molecular FormulaC21H24F3N7O
Molecular Weight447.47 g/mol
Exact Mass447.20
IUPAC Name1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C)n2)n1
InChIInChI=1S/C21H24F3N7O/c1-5-31(12-20(3,4)32)19-29-17(15-8-6-7-13(2)26-15)28-18(30-19)27-14-9-10-25-16(11-14)21(22,23)24/h6-11,32H,5,12H2,1-4H3,(H,25,27,28,29,30)
InChIKeyQUSZRUBSVURKPD-UHFFFAOYSA-N
XLogP4.00
TPSA99.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

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
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
4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
CID 126550728
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
CID 161363969
3-[[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]amino]-3-methylbutanenitrile
CID 122449453
1,1,1,3,3,3-hexadeuterio-2-[dideuterio-[[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol
CID 129060702
6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-(2-methylbutyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146867881
1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 78995484
4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 158035998
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-[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

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (CID 149101646) is 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C)n2)n1.
What is the InChIKey of 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is QUSZRUBSVURKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O/c1-5-31(12-20(3,4)32)19-29-17(15-8-6-7-13(2)26-15)28-18(30-19)27-14-9-10-25-16(11-14)21(22,23)24/h6-11,32H,5,12H2,1-4H3,(H,25,27,28,29,30).
What are the key properties of 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?
1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 447.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 149101646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).