N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane

C125H161F8N31O5S — CID 159934753

About N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane

N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane (PubChem CID 159934753) has the molecular formula C125H161F8N31O5S and a molecular weight of 2361.93 g/mol. Its IUPAC name is N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane.

Molecular Properties

• Compound Name: N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane
• PubChem CID: 159934753
• Molecular Formula: C125H161F8N31O5S
• Molecular Weight: 2361.93 g/mol
• Exact Mass: 2360.29
• IUPAC Name: N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane
• SMILES: C.C.C.C=S(C)(=O)N1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.CC(C)(Cc1ccccc1C1CCCC1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN(C)CCCc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)C1
• InChI: InChI=1S/C32H40F2N8O2S.C30H36F2N8O.C30H38F2N8O.C30H35F2N7O.3CH4/c1-32(2,21-23-9-5-6-10-24(23)22-13-15-41(16-14-22)45(3,4)43)39-29-36-30(40-17-19-44-20-18-40)38-31(37-29)42-26-12-8-7-11-25(26)35-28(42)27(33)34;1-30(2,18-20-8-4-5-9-22(20)21-12-13-38(3)19-21)37-27-34-28(39-14-16-41-17-15-39)36-29(35-27)40-24-11-7-6-10-23(24)33-26(40)25(31)32;1-30(2,20-22-11-6-5-10-21(22)12-9-15-38(3)4)37-27-34-28(39-16-18-41-19-17-39)36-29(35-27)40-24-14-8-7-13-23(24)33-26(40)25(31)32;1-30(2,19-21-11-5-6-12-22(21)20-9-3-4-10-20)37-27-34-28(38-15-17-40-18-16-38)36-29(35-27)39-24-14-8-7-13-23(24)33-26(39)25(31)32;;;/h5-12,22,27H,3,13-21H2,1-2,4H3,(H,36,37,38,39);4-11,21,25H,12-19H2,1-3H3,(H,34,35,36,37);5-8,10-11,13-14,25H,9,12,15-20H2,1-4H3,(H,34,35,36,37);5-8,11-14,20,25H,3-4,9-10,15-19H2,1-2H3,(H,34,35,36,37);3*1H4
• InChIKey: OACCURCKOWAQDN-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 350.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2361.93
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?

The IUPAC name of N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane (CID 159934753) is N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane.

What is the SMILES notation for N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?

The canonical SMILES for N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane is C.C.C.C=S(C)(=O)N1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.CC(C)(Cc1ccccc1C1CCCC1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN(C)CCCc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)C1.

What is the InChIKey of N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?

The InChIKey is OACCURCKOWAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2N8O2S.C30H36F2N8O.C30H38F2N8O.C30H35F2N7O.3CH4/c1-32(2,21-23-9-5-6-10-24(23)22-13-15-41(16-14-22)45(3,4)43)39-29-36-30(40-17-19-44-20-18-40)38-31(37-29)42-26-12-8-7-11-25(26)35-28(42)27(33)34;1-30(2,18-20-8-4-5-9-22(20)21-12-13-38(3)19-21)37-27-34-28(39-14-16-41-17-15-39)36-29(35-27)40-24-11-7-6-10-23(24)33-26(40)25(31)32;1-30(2,20-22-11-6-5-10-21(22)12-9-15-38(3)4)37-27-34-28(39-16-18-41-19-17-39)36-29(35-27)40-24-14-8-7-13-23(24)33-26(40)25(31)32;1-30(2,19-21-11-5-6-12-22(21)20-9-3-4-10-20)37-27-34-28(38-15-17-40-18-16-38)36-29(35-27)39-24-14-8-7-13-23(24)33-26(39)25(31)32;;;/h5-12,22,27H,3,13-21H2,1-2,4H3,(H,36,37,38,39);4-11,21,25H,12-19H2,1-3H3,(H,34,35,36,37);5-8,10-11,13-14,25H,9,12,15-20H2,1-4H3,(H,34,35,36,37);5-8,11-14,20,25H,3-4,9-10,15-19H2,1-2H3,(H,34,35,36,37);3*1H4.

What are the key properties of N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?

N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane has a molecular weight of 2361.93 g/mol, XLogP of 22.59, 36 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-cyclopentylphenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[3-(dimethylamino)propyl]phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrrolidin-3-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane is sourced from PubChem (CID 159934753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).