2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile

C91H90Cl3F22N33S — CID 159973641

About 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile

2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile (PubChem CID 159973641) has the molecular formula C91H90Cl3F22N33S and a molecular weight of 2202.33 g/mol. Its IUPAC name is 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile
• PubChem CID: 159973641
• Molecular Formula: C91H90Cl3F22N33S
• Molecular Weight: 2202.33 g/mol
• Exact Mass: 2199.65
• IUPAC Name: 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile
• SMILES: CC(Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.Clc1cccc(-c2nc(NC(C3CC3)C3CC3)nc(NC(C3CC3)C3CC3)n2)n1.FC1(F)CC(Nc2nc(NC3CC(F)(F)C3)nc(-c3nc(C(F)(F)F)cs3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cncc(Cl)n3)n2)C1.N#CC1(c2cc(Nc3nc(N[C@H]4CCC(F)(F)C4)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1
• InChI: InChI=1S/C23H19F5N8.C22H27ClN6.C17H18ClF4N7.C15H13F7N6S.C14H13ClF6N6/c24-22(25)6-4-14(11-22)32-20-35-18(15-2-1-3-16(33-15)23(26,27)28)34-19(36-20)31-13-5-9-30-17(10-13)21(12-29)7-8-21;23-17-3-1-2-16(24-17)20-27-21(25-18(12-4-5-12)13-6-7-13)29-22(28-20)26-19(14-8-9-14)15-10-11-15;18-12-8-23-7-11(26-12)13-27-14(24-9-1-3-16(19,20)5-9)29-15(28-13)25-10-2-4-17(21,22)6-10;16-13(17)1-6(2-13)23-11-26-9(10-25-8(5-29-10)15(20,21)22)27-12(28-11)24-7-3-14(18,19)4-7;1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h1-3,5,9-10,14H,4,6-8,11H2,(H2,30,31,32,34,35,36);1-3,12-15,18-19H,4-11H2,(H2,25,26,27,28,29);7-10H,1-6H2,(H2,24,25,27,28,29);5-7H,1-4H2,(H2,23,24,26,27,28);3-7H,1-2H3,(H2,22,23,25,26,27)/t14-;;;;/m0..../s1
• InChIKey: OEWJHLWRVUPFMK-XCYGSCDUSA-N
• XLogP: 22.96
• TPSA: 427.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2202.33
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

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(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile?

The IUPAC name of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile (CID 159973641) is 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile?

The canonical SMILES for 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile is CC(Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.Clc1cccc(-c2nc(NC(C3CC3)C3CC3)nc(NC(C3CC3)C3CC3)n2)n1.FC1(F)CC(Nc2nc(NC3CC(F)(F)C3)nc(-c3nc(C(F)(F)F)cs3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cncc(Cl)n3)n2)C1.N#CC1(c2cc(Nc3nc(N[C@H]4CCC(F)(F)C4)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1.

What is the InChIKey of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile?

The InChIKey is OEWJHLWRVUPFMK-XCYGSCDUSA-N. The full InChI is InChI=1S/C23H19F5N8.C22H27ClN6.C17H18ClF4N7.C15H13F7N6S.C14H13ClF6N6/c24-22(25)6-4-14(11-22)32-20-35-18(15-2-1-3-16(33-15)23(26,27)28)34-19(36-20)31-13-5-9-30-17(10-13)21(12-29)7-8-21;23-17-3-1-2-16(24-17)20-27-21(25-18(12-4-5-12)13-6-7-13)29-22(28-20)26-19(14-8-9-14)15-10-11-15;18-12-8-23-7-11(26-12)13-27-14(24-9-1-3-16(19,20)5-9)29-15(28-13)25-10-2-4-17(21,22)6-10;16-13(17)1-6(2-13)23-11-26-9(10-25-8(5-29-10)15(20,21)22)27-12(28-11)24-7-3-14(18,19)4-7;1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h1-3,5,9-10,14H,4,6-8,11H2,(H2,30,31,32,34,35,36);1-3,12-15,18-19H,4-11H2,(H2,25,26,27,28,29);7-10H,1-6H2,(H2,24,25,27,28,29);5-7H,1-4H2,(H2,23,24,26,27,28);3-7H,1-2H3,(H2,22,23,25,26,27)/t14-;;;;/m0..../s1.

What are the key properties of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile?

2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile has a molecular weight of 2202.33 g/mol, XLogP of 22.96, 30 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(dicyclopropylmethyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;1-[4-[[4-[[(1S)-3,3-difluorocyclopentyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 159973641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).