2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine

C85H87Cl2F28N33S — CID 159684668

About 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine (PubChem CID 159684668) has the molecular formula C85H87Cl2F28N33S and a molecular weight of 2205.78 g/mol. Its IUPAC name is 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 159684668
• Molecular Formula: C85H87Cl2F28N33S
• Molecular Weight: 2205.78 g/mol
• Exact Mass: 2203.65
• IUPAC Name: 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
• SMILES: FC(F)c1cccc(-c2nc(NC3CC(F)(F)C3)nc(NC3CC(F)(F)C3)n2)n1.FC1(F)CC(Nc2nc(NC3CC(F)(F)C3)nc(-c3cncc(Cl)n3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3nc(C(F)(F)F)cs3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-n3ccc(C(F)(F)F)n3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3cncc(Cl)n3)n2)CC1
• InChI: InChI=1S/C19H22ClF4N7.C17H18F7N7.C17H17F7N6S.C17H16F6N6.C15H14ClF4N7/c20-14-10-25-9-13(28-14)15-29-16(26-11-1-5-18(21,22)6-2-11)31-17(30-15)27-12-3-7-19(23,24)8-4-12;18-15(19)4-1-9(7-15)25-12-27-13(26-10-2-5-16(20,21)8-10)29-14(28-12)31-6-3-11(30-31)17(22,23)24;18-15(19)3-1-8(5-15)25-13-28-11(12-27-10(7-31-12)17(22,23)24)29-14(30-13)26-9-2-4-16(20,21)6-9;18-12(19)10-2-1-3-11(26-10)13-27-14(24-8-4-16(20,21)5-8)29-15(28-13)25-9-6-17(22,23)7-9;16-10-6-21-5-9(24-10)11-25-12(22-7-1-14(17,18)2-7)27-13(26-11)23-8-3-15(19,20)4-8/h9-12H,1-8H2,(H2,26,27,29,30,31);3,6,9-10H,1-2,4-5,7-8H2,(H2,25,26,27,28,29);7-9H,1-6H2,(H2,25,26,28,29,30);1-3,8-9,12H,4-7H2,(H2,24,25,27,28,29);5-8H,1-4H2,(H2,22,23,25,26,27)
• InChIKey: MVQFNEUYQBXRFR-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 408.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.78
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine (CID 159684668) is 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine is FC(F)c1cccc(-c2nc(NC3CC(F)(F)C3)nc(NC3CC(F)(F)C3)n2)n1.FC1(F)CC(Nc2nc(NC3CC(F)(F)C3)nc(-c3cncc(Cl)n3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3nc(C(F)(F)F)cs3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-n3ccc(C(F)(F)F)n3)n2)C1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3cncc(Cl)n3)n2)CC1.

What is the InChIKey of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is MVQFNEUYQBXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF4N7.C17H18F7N7.C17H17F7N6S.C17H16F6N6.C15H14ClF4N7/c20-14-10-25-9-13(28-14)15-29-16(26-11-1-5-18(21,22)6-2-11)31-17(30-15)27-12-3-7-19(23,24)8-4-12;18-15(19)4-1-9(7-15)25-12-27-13(26-10-2-5-16(20,21)8-10)29-14(28-12)31-6-3-11(30-31)17(22,23)24;18-15(19)3-1-8(5-15)25-13-28-11(12-27-10(7-31-12)17(22,23)24)29-14(30-13)26-9-2-4-16(20,21)6-9;18-12(19)10-2-1-3-11(26-10)13-27-14(24-8-4-16(20,21)5-8)29-15(28-13)25-9-6-17(22,23)7-9;16-10-6-21-5-9(24-10)11-25-12(22-7-1-14(17,18)2-7)27-13(26-11)23-8-3-15(19,20)4-8/h9-12H,1-8H2,(H2,26,27,29,30,31);3,6,9-10H,1-2,4-5,7-8H2,(H2,25,26,27,28,29);7-9H,1-6H2,(H2,25,26,28,29,30);1-3,8-9,12H,4-7H2,(H2,24,25,27,28,29);5-8H,1-4H2,(H2,22,23,25,26,27).

What are the key properties of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine?

2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2205.78 g/mol, XLogP of 22.14, 26 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-[6-(difluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-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-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine;6-(6-chloropyrazin-2-yl)-2-N,4-N-bis(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159684668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).