1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol

C104H101F11N36O2 — CID 161250354

About 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol

1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 161250354) has the molecular formula C104H101F11N36O2 and a molecular weight of 2096.18 g/mol. Its IUPAC name is 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
• PubChem CID: 161250354
• Molecular Formula: C104H101F11N36O2
• Molecular Weight: 2096.18 g/mol
• Exact Mass: 2094.87
• IUPAC Name: 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
• SMILES: CC(C)(O)CNc1nc(Nc2ccc(F)nc2)nc(-c2ccccc2F)n1.CC(C)(O)CNc1nc(Nc2cncc(F)c2)nc(-c2ccccc2F)n1.CC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(Nc3ccnc(C(C)(C)C#N)c3)n2)n1.CC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(Nc3ccnc(C4(C#N)CC4)c3)n2)n1.N#CC1(c2cc(Nc3nc(NCC4CC4)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1
• InChI: InChI=1S/C23H22F2N8.C23H24F2N8.C22H19F3N8.2C18H18F2N6O/c1-22(24,25)17-4-2-3-16(30-17)19-31-20(28-12-14-5-6-14)33-21(32-19)29-15-7-10-27-18(11-15)23(13-26)8-9-23;1-22(2,13-26)18-11-15(9-10-27-18)29-21-32-19(31-20(33-21)28-12-14-7-8-14)16-5-4-6-17(30-16)23(3,24)25;23-22(24,25)16-3-1-2-15(30-16)18-31-19(28-11-13-4-5-13)33-20(32-18)29-14-6-9-27-17(10-14)21(12-26)7-8-21;1-18(2,27)10-22-16-24-15(13-5-3-4-6-14(13)20)25-17(26-16)23-12-7-11(19)8-21-9-12;1-18(2,27)10-22-16-24-15(12-5-3-4-6-13(12)19)25-17(26-16)23-11-7-8-14(20)21-9-11/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H2,27,28,29,31,32,33);4-6,9-11,14H,7-8,12H2,1-3H3,(H2,27,28,29,31,32,33);1-3,6,9-10,13H,4-5,7-8,11H2,(H2,27,28,29,31,32,33);2*3-9,27H,10H2,1-2H3,(H2,22,23,24,25,26)
• InChIKey: VBEMEOQUXUQJED-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 528.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2096.18
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

The IUPAC name of 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (CID 161250354) is 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

The canonical SMILES for 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(Nc2ccc(F)nc2)nc(-c2ccccc2F)n1.CC(C)(O)CNc1nc(Nc2cncc(F)c2)nc(-c2ccccc2F)n1.CC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(Nc3ccnc(C(C)(C)C#N)c3)n2)n1.CC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(Nc3ccnc(C4(C#N)CC4)c3)n2)n1.N#CC1(c2cc(Nc3nc(NCC4CC4)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1.

What is the InChIKey of 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

The InChIKey is VBEMEOQUXUQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N8.C23H24F2N8.C22H19F3N8.2C18H18F2N6O/c1-22(24,25)17-4-2-3-16(30-17)19-31-20(28-12-14-5-6-14)33-21(32-19)29-15-7-10-27-18(11-15)23(13-26)8-9-23;1-22(2,13-26)18-11-15(9-10-27-18)29-21-32-19(31-20(33-21)28-12-14-7-8-14)16-5-4-6-17(30-16)23(3,24)25;23-22(24,25)16-3-1-2-15(30-16)18-31-19(28-11-13-4-5-13)33-20(32-18)29-14-6-9-27-17(10-14)21(12-26)7-8-21;1-18(2,27)10-22-16-24-15(13-5-3-4-6-14(13)20)25-17(26-16)23-12-7-11(19)8-21-9-12;1-18(2,27)10-22-16-24-15(12-5-3-4-6-13(12)19)25-17(26-16)23-11-7-8-14(20)21-9-11/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H2,27,28,29,31,32,33);4-6,9-11,14H,7-8,12H2,1-3H3,(H2,27,28,29,31,32,33);1-3,6,9-10,13H,4-5,7-8,11H2,(H2,27,28,29,31,32,33);2*3-9,27H,10H2,1-2H3,(H2,22,23,24,25,26).

What are the key properties of 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 2096.18 g/mol, XLogP of 20.11, 35 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-[4-[[4-(cyclopropylmethylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]-2-methylpropanenitrile;1-[4-[[4-(cyclopropylmethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;1-[[4-(2-fluorophenyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-(2-fluorophenyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 161250354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).