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

C18H16F6N8O — CID 175798156

IUPAC3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol
SMILESCC(O)C(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H16F6N8O/c1-8(9(2)33)27-15-30-14(13-26-6-4-11(29-13)17(19,20)21)31-16(32-15)28-10-3-5-25-12(7-10)18(22,23)24/h3-9,33H,1-2H3,(H2,25,27,28,30,31,32)
InChIKeyCXWRZBMUGDBBGS-UHFFFAOYSA-N
MW474.37 g/mol
LogP3.69
Rot. Bonds6

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

3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol (PubChem CID 175798156) has the molecular formula C18H16F6N8O and a molecular weight of 474.37 g/mol. Its IUPAC name is 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol
PubChem CID175798156
Molecular FormulaC18H16F6N8O
Molecular Weight474.37 g/mol
Exact Mass474.14
IUPAC Name3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol
SMILESCC(O)C(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H16F6N8O/c1-8(9(2)33)27-15-30-14(13-26-6-4-11(29-13)17(19,20)21)31-16(32-15)28-10-3-5-25-12(7-10)18(22,23)24/h3-9,33H,1-2H3,(H2,25,27,28,30,31,32)
InChIKeyCXWRZBMUGDBBGS-UHFFFAOYSA-N
XLogP3.69
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-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
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
4-[[4-(2,2-dimethylpropylamino)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile
CID 122663732
N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 10944517
4,6-dichloro-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 122677423
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
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
4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
CID 126550728
1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]cyclopentan-1-ol
CID 175798155
(2S)-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 159087837
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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol?
The IUPAC name of 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) is 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol.
What is the SMILES notation for 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol?
The canonical SMILES for 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol is CC(O)C(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol?
The InChIKey is CXWRZBMUGDBBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N8O/c1-8(9(2)33)27-15-30-14(13-26-6-4-11(29-13)17(19,20)21)31-16(32-15)28-10-3-5-25-12(7-10)18(22,23)24/h3-9,33H,1-2H3,(H2,25,27,28,30,31,32).
What are the key properties of 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol?
3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol has a molecular weight of 474.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]butan-2-ol is sourced from PubChem (CID 175798156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).