1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C105H104ClF14N33O6S3 — CID 158911607

About 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 158911607) has the molecular formula C105H104ClF14N33O6S3 and a molecular weight of 2321.84 g/mol. Its IUPAC name is 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 158911607
• Molecular Formula: C105H104ClF14N33O6S3
• Molecular Weight: 2321.84 g/mol
• Exact Mass: 2319.75
• IUPAC Name: 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(C)(F)F)n3)n2)ccn1.CC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(Nc3cc(Cl)cc(S(C)(=O)=O)c3)n2)n1.CC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(Nc3cccc(S(C)(=O)=O)c3)n2)n1.CS(=O)(=O)c1cccc(Nc2nc(NCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)c1
• InChI: InChI=1S/C22H21F3N8.C21H21ClF2N6O2S.C21H21F4N7.C21H22F2N6O2S.C20H19F3N6O2S/c1-20(2,3)33-19-31-17(14-5-4-6-15(29-14)22(23,24)25)30-18(32-19)28-13-7-10-27-16(11-13)21(12-26)8-9-21;1-21(23,24)17-5-3-4-16(27-17)18-28-19(25-11-12-6-7-12)30-20(29-18)26-14-8-13(22)9-15(10-14)33(2,31)32;1-20(22,23)15-5-3-4-14(29-15)17-30-18(27-11-12-6-7-12)32-19(31-17)28-13-8-9-26-16(10-13)21(2,24)25;1-21(22,23)17-8-4-7-16(26-17)18-27-19(24-12-13-9-10-13)29-20(28-18)25-14-5-3-6-15(11-14)32(2,30)31;1-32(30,31)14-5-2-4-13(10-14)25-19-28-17(27-18(29-19)24-11-12-8-9-12)15-6-3-7-16(26-15)20(21,22)23/h4-7,10-11H,8-9H2,1-3H3,(H2,27,28,30,31,32,33);3-5,8-10,12H,6-7,11H2,1-2H3,(H2,25,26,28,29,30);3-5,8-10,12H,6-7,11H2,1-2H3,(H2,26,27,28,30,31,32);3-8,11,13H,9-10,12H2,1-2H3,(H2,24,25,27,28,29);2-7,10,12H,8-9,11H2,1H3,(H2,24,25,27,28,29)
• InChIKey: JGSJIYKZMOQNNP-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 530.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 36
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2321.84
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 158911607) is 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(C)(F)F)n3)n2)ccn1.CC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(Nc3cc(Cl)cc(S(C)(=O)=O)c3)n2)n1.CC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(Nc3cccc(S(C)(=O)=O)c3)n2)n1.CS(=O)(=O)c1cccc(Nc2nc(NCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)c1.

What is the InChIKey of 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is JGSJIYKZMOQNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8.C21H21ClF2N6O2S.C21H21F4N7.C21H22F2N6O2S.C20H19F3N6O2S/c1-20(2,3)33-19-31-17(14-5-4-6-15(29-14)22(23,24)25)30-18(32-19)28-13-7-10-27-16(11-13)21(12-26)8-9-21;1-21(23,24)17-5-3-4-16(27-17)18-28-19(25-11-12-6-7-12)30-20(29-18)26-14-8-13(22)9-15(10-14)33(2,31)32;1-20(22,23)15-5-3-4-14(29-15)17-30-18(27-11-12-6-7-12)32-19(31-17)28-13-8-9-26-16(10-13)21(2,24)25;1-21(22,23)17-8-4-7-16(26-17)18-27-19(24-12-13-9-10-13)29-20(28-18)25-14-5-3-6-15(11-14)32(2,30)31;1-32(30,31)14-5-2-4-13(10-14)25-19-28-17(27-18(29-19)24-11-12-8-9-12)15-6-3-7-16(26-15)20(21,22)23/h4-7,10-11H,8-9H2,1-3H3,(H2,27,28,30,31,32,33);3-5,8-10,12H,6-7,11H2,1-2H3,(H2,25,26,28,29,30);3-5,8-10,12H,6-7,11H2,1-2H3,(H2,26,27,28,30,31,32);3-8,11,13H,9-10,12H2,1-2H3,(H2,24,25,27,28,29);2-7,10,12H,8-9,11H2,1H3,(H2,24,25,27,28,29).

What are the key properties of 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2321.84 g/mol, XLogP of 22.58, 36 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-(tert-butylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158911607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).