2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C95H105ClF25N31 — CID 157398153

About 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 157398153) has the molecular formula C95H105ClF25N31 and a molecular weight of 2191.50 g/mol. Its IUPAC name is 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 157398153
• Molecular Formula: C95H105ClF25N31
• Molecular Weight: 2191.50 g/mol
• Exact Mass: 2189.85
• IUPAC Name: 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC[C@H](Nc1nc(N[C@H](CC)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.C[C@@H](Nc1nc(NC(C2CC2)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C(F)F)n2)n1)C1CC1.FC1(F)CCC(Nc2nc(NC3CC4(C3)CC(F)(F)C4)nc(-c3cccc(C(F)(F)F)n3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3ccnc(C(F)(F)F)n3)n2)C1
• InChI: InChI=1S/C21H21F7N6.C21H25F3N6.C19H24F2N6.C18H18F7N7.C16H17ClF6N6/c22-19(23)5-4-11(8-19)29-16-32-15(13-2-1-3-14(31-13)21(26,27)28)33-17(34-16)30-12-6-18(7-12)9-20(24,25)10-18;1-11(12-5-6-12)25-19-28-18(15-3-2-4-16(26-15)21(22,23)24)29-20(30-19)27-17(13-7-8-13)14-9-10-14;1-10(12-6-7-12)22-18-25-17(15-5-3-4-14(24-15)16(20)21)26-19(27-18)23-11(2)13-8-9-13;19-16(20)4-1-9(7-16)27-14-30-12(11-3-6-26-13(29-11)18(23,24)25)31-15(32-14)28-10-2-5-17(21,22)8-10;1-3-9(15(18,19)20)25-13-27-12(8-6-5-7-11(17)24-8)28-14(29-13)26-10(4-2)16(21,22)23/h1-3,11-12H,4-10H2,(H2,29,30,32,33,34);2-4,11-14,17H,5-10H2,1H3,(H2,25,27,28,29,30);3-5,10-13,16H,6-9H2,1-2H3,(H2,22,23,25,26,27);3,6,9-10H,1-2,4-5,7-8H2,(H2,27,28,30,31,32);5-7,9-10H,3-4H2,1-2H3,(H2,25,26,27,28,29)/t;11-;10-,11-;;9-,10+/m.11../s1
• InChIKey: BMVAOGJKYIYYBV-OFBVGPJYSA-N
• XLogP: 24.24
• TPSA: 390.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2191.50
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 157398153) is 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC[C@H](Nc1nc(N[C@H](CC)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.C[C@@H](Nc1nc(NC(C2CC2)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C(F)F)n2)n1)C1CC1.FC1(F)CCC(Nc2nc(NC3CC4(C3)CC(F)(F)C4)nc(-c3cccc(C(F)(F)F)n3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3ccnc(C(F)(F)F)n3)n2)C1.

What is the InChIKey of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is BMVAOGJKYIYYBV-OFBVGPJYSA-N. The full InChI is InChI=1S/C21H21F7N6.C21H25F3N6.C19H24F2N6.C18H18F7N7.C16H17ClF6N6/c22-19(23)5-4-11(8-19)29-16-32-15(13-2-1-3-14(31-13)21(26,27)28)33-17(34-16)30-12-6-18(7-12)9-20(24,25)10-18;1-11(12-5-6-12)25-19-28-18(15-3-2-4-16(26-15)21(22,23)24)29-20(30-19)27-17(13-7-8-13)14-9-10-14;1-10(12-6-7-12)22-18-25-17(15-5-3-4-14(24-15)16(20)21)26-19(27-18)23-11(2)13-8-9-13;19-16(20)4-1-9(7-16)27-14-30-12(11-3-6-26-13(29-11)18(23,24)25)31-15(32-14)28-10-2-5-17(21,22)8-10;1-3-9(15(18,19)20)25-13-27-12(8-6-5-7-11(17)24-8)28-14(29-13)26-10(4-2)16(21,22)23/h1-3,11-12H,4-10H2,(H2,29,30,32,33,34);2-4,11-14,17H,5-10H2,1H3,(H2,25,27,28,29,30);3-5,10-13,16H,6-9H2,1-2H3,(H2,22,23,25,26,27);3,6,9-10H,1-2,4-5,7-8H2,(H2,27,28,30,31,32);5-7,9-10H,3-4H2,1-2H3,(H2,25,26,27,28,29)/t;11-;10-,11-;;9-,10+/m.11../s1.

What are the key properties of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2191.50 g/mol, XLogP of 24.24, 33 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(dicyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(3,3-difluorocyclopentyl)-2-N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157398153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).