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

C20H21F3N6O — CID 159539389

IUPAC2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol
SMILESCc1cccc(-c2nc(CCC(C)(C)O)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C20H21F3N6O/c1-12-5-4-6-14(25-12)17-27-16(7-9-19(2,3)30)28-18(29-17)26-13-8-10-24-15(11-13)20(21,22)23/h4-6,8,10-11,30H,7,9H2,1-3H3,(H,24,26,27,28,29)
InChIKeyMDZUFYZKLYEQNP-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.10
Rot. Bonds6

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

2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol (PubChem CID 159539389) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol
PubChem CID159539389
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol
SMILESCc1cccc(-c2nc(CCC(C)(C)O)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C20H21F3N6O/c1-12-5-4-6-14(25-12)17-27-16(7-9-19(2,3)30)28-18(29-17)26-13-8-10-24-15(11-13)20(21,22)23/h4-6,8,10-11,30H,7,9H2,1-3H3,(H,24,26,27,28,29)
InChIKeyMDZUFYZKLYEQNP-UHFFFAOYSA-N
XLogP4.10
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

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
4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
CID 126550728
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-(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
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
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
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
6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine
CID 10682283
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol?
The IUPAC name of 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) is 2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol is Cc1cccc(-c2nc(CCC(C)(C)O)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of 2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol?
The InChIKey is MDZUFYZKLYEQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c1-12-5-4-6-14(25-12)17-27-16(7-9-19(2,3)30)28-18(29-17)26-13-8-10-24-15(11-13)20(21,22)23/h4-6,8,10-11,30H,7,9H2,1-3H3,(H,24,26,27,28,29).
What are the key properties of 2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol?
2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol has a molecular weight of 418.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol is sourced from PubChem (CID 159539389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).