4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)

C76H59F25N28O2 — CID 159219972

IUPAC4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)
SMILESCC1(F)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C19H14F7N7.2C19H15F6N7O.C19H15F6N7/c1-17(20)8-33(9-17)16-31-14(11-3-2-4-12(29-11)18(21,22)23)30-15(32-16)28-10-5-6-27-13(7-10)19(24,25)26;2*1-17(33)8-32(9-17)16-30-14(11-3-2-4-12(28-11)18(20,21)22)29-15(31-16)27-10-5-6-26-13(7-10)19(23,24)25;1-10-8-32(9-10)17-30-15(12-3-2-4-13(28-12)18(20,21)22)29-16(31-17)27-11-5-6-26-14(7-11)19(23,24)25/h2-7H,8-9H2,1H3,(H,27,28,30,31,32);2*2-7,33H,8-9H2,1H3,(H,26,27,29,30,31);2-7,10H,8-9H2,1H3,(H,26,27,29,30,31)
InChIKeyKRODHLFHWKVFBV-UHFFFAOYSA-N
MW1871.45 g/mol
LogP16.59
Rot. Bonds16

About 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)

4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol) (PubChem CID 159219972) has the molecular formula C76H59F25N28O2 and a molecular weight of 1871.45 g/mol. Its IUPAC name is 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol).

Molecular Properties

Compound Name4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)
PubChem CID159219972
Molecular FormulaC76H59F25N28O2
Molecular Weight1871.45 g/mol
Exact Mass1870.50
IUPAC Name4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)
SMILESCC1(F)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C19H14F7N7.2C19H15F6N7O.C19H15F6N7/c1-17(20)8-33(9-17)16-31-14(11-3-2-4-12(29-11)18(21,22)23)30-15(32-16)28-10-5-6-27-13(7-10)19(24,25)26;2*1-17(33)8-32(9-17)16-30-14(11-3-2-4-12(28-11)18(20,21)22)29-15(31-16)27-10-5-6-26-13(7-10)19(23,24)25;1-10-8-32(9-10)17-30-15(12-3-2-4-13(28-12)18(20,21)22)29-16(31-17)27-11-5-6-26-14(7-11)19(23,24)25/h2-7H,8-9H2,1H3,(H,27,28,30,31,32);2*2-7,33H,8-9H2,1H3,(H,26,27,29,30,31);2-7,10H,8-9H2,1H3,(H,26,27,29,30,31)
InChIKeyKRODHLFHWKVFBV-UHFFFAOYSA-N
XLogP16.59
TPSA359.34 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001871.45
LogP ≤ 516.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Enasidenib
CID 89683805
2-N-[(2-methylpropan-2-yl)oxy]-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 134197864
2-Methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-2-ol
CID 134561925
2-Methyl-1-[[4-(pyridin-4-ylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 162668503
4-[[4-[(2-Hydroxy-2-methylpropyl)amino]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile
CID 117799170
2-[[4-[[2-(1,1-Difluoroethyl)pyridin-4-yl]amino]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 117817105
(3S)-3-(trifluoromethyl)-1-[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 134197902
2-Methyl-1-[[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]-6-[[6-(trifluoromethyl)pyridin-2-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 158554640
2-Methyl-2-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 89683924
1-[4-[[4-(3-Hydroxy-3-methylazetidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)pyridin-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 152392485
2-Methyl-1-[4-(2-trifluoromethyl-pyridin-4-ylamino)-6-(4-trifluoromethyl-pyrimidin-2-yl)-[1,3,5]triazin-2-ylamino]-propan-2-ol
CID 86690576
1-[[4-[(6-Fluoropyridin-3-yl)amino]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 89683837

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)?
The IUPAC name of 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol) (CID 159219972) is 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol).
What is the SMILES notation for 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)?
The canonical SMILES for 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol) is CC1(F)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.
What is the InChIKey of 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)?
The InChIKey is KRODHLFHWKVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F7N7.2C19H15F6N7O.C19H15F6N7/c1-17(20)8-33(9-17)16-31-14(11-3-2-4-12(29-11)18(21,22)23)30-15(32-16)28-10-5-6-27-13(7-10)19(24,25)26;2*1-17(33)8-32(9-17)16-30-14(11-3-2-4-12(28-11)18(20,21)22)29-15(31-16)27-10-5-6-26-13(7-10)19(23,24)25;1-10-8-32(9-10)17-30-15(12-3-2-4-13(28-12)18(20,21)22)29-16(31-17)27-11-5-6-26-14(7-11)19(23,24)25/h2-7H,8-9H2,1H3,(H,27,28,30,31,32);2*2-7,33H,8-9H2,1H3,(H,26,27,29,30,31);2-7,10H,8-9H2,1H3,(H,26,27,29,30,31).
What are the key properties of 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol)?
4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol) has a molecular weight of 1871.45 g/mol, XLogP of 16.59, 16 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;bis(3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol) is sourced from PubChem (CID 159219972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).