6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C101H97Cl2F15N46O2S — CID 157220485

About 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 157220485) has the molecular formula C101H97Cl2F15N46O2S and a molecular weight of 2375.15 g/mol. Its IUPAC name is 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• PubChem CID: 157220485
• Molecular Formula: C101H97Cl2F15N46O2S
• Molecular Weight: 2375.15 g/mol
• Exact Mass: 2372.78
• IUPAC Name: 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2nccc(N)n2)n1.CC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2ccnc(N)n2)n1.CC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2nc(N)cc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2cccc(S(C)(=O)=O)c2)nc(-c2cc(Cl)cc(Cl)n2)n1.CC(F)(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(-c2nccc(N)n2)n1.Nc1ccnc(-c2nc(NCC3CC3)nc(Nc3cc(F)cc(F)c3)n2)n1
• InChI: InChI=1S/C18H18Cl2N6O2S.C17H15F5N8.C17H16F2N8.C17H18F2N8.C16H14F4N8.C16H16F2N8/c1-10(2)21-17-24-16(14-7-11(19)8-15(20)23-14)25-18(26-17)22-12-5-4-6-13(9-12)29(3,27)28;1-7(2)24-15-28-14(13-26-11(17(20,21)22)6-12(23)27-13)29-16(30-15)25-10-4-8(18)3-9(19)5-10;18-10-5-11(19)7-12(6-10)23-17-26-15(14-21-4-3-13(20)24-14)25-16(27-17)22-8-9-1-2-9;1-17(2,3)27-16-25-14(13-21-5-4-12(20)23-13)24-15(26-16)22-11-7-9(18)6-10(19)8-11;1-16(19,20)7-23-14-26-13(12-22-3-2-11(21)25-12)27-15(28-14)24-10-5-8(17)4-9(18)6-10;1-8(2)21-15-24-13(12-3-4-20-14(19)23-12)25-16(26-15)22-11-6-9(17)5-10(18)7-11/h4-10H,1-3H3,(H2,21,22,24,25,26);3-7H,1-2H3,(H2,23,26,27)(H2,24,25,28,29,30);3-7,9H,1-2,8H2,(H2,20,21,24)(H2,22,23,25,26,27);4-8H,1-3H3,(H2,20,21,23)(H2,22,24,25,26,27);2-6H,7H2,1H3,(H2,21,22,25)(H2,23,24,26,27,28);3-8H,1-2H3,(H2,19,20,23)(H2,21,22,24,25,26)
• InChIKey: ASXVMFNMYRXTMO-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 682.41 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 48
• Rotatable Bonds: 32
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2375.15
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 157220485) is 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2nccc(N)n2)n1.CC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2ccnc(N)n2)n1.CC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2nc(N)cc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2cccc(S(C)(=O)=O)c2)nc(-c2cc(Cl)cc(Cl)n2)n1.CC(F)(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(-c2nccc(N)n2)n1.Nc1ccnc(-c2nc(NCC3CC3)nc(Nc3cc(F)cc(F)c3)n2)n1.

What is the InChIKey of 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?

The InChIKey is ASXVMFNMYRXTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O2S.C17H15F5N8.C17H16F2N8.C17H18F2N8.C16H14F4N8.C16H16F2N8/c1-10(2)21-17-24-16(14-7-11(19)8-15(20)23-14)25-18(26-17)22-12-5-4-6-13(9-12)29(3,27)28;1-7(2)24-15-28-14(13-26-11(17(20,21)22)6-12(23)27-13)29-16(30-15)25-10-4-8(18)3-9(19)5-10;18-10-5-11(19)7-12(6-10)23-17-26-15(14-21-4-3-13(20)24-14)25-16(27-17)22-8-9-1-2-9;1-17(2,3)27-16-25-14(13-21-5-4-12(20)23-13)24-15(26-16)22-11-7-9(18)6-10(19)8-11;1-16(19,20)7-23-14-26-13(12-22-3-2-11(21)25-12)27-15(28-14)24-10-5-8(17)4-9(18)6-10;1-8(2)21-15-24-13(12-3-4-20-14(19)23-12)25-16(26-15)22-11-6-9(17)5-10(18)7-11/h4-10H,1-3H3,(H2,21,22,24,25,26);3-7H,1-2H3,(H2,23,26,27)(H2,24,25,28,29,30);3-7,9H,1-2,8H2,(H2,20,21,24)(H2,22,23,25,26,27);4-8H,1-3H3,(H2,20,21,23)(H2,22,24,25,26,27);2-6H,7H2,1H3,(H2,21,22,25)(H2,23,24,26,27,28);3-8H,1-2H3,(H2,19,20,23)(H2,21,22,24,25,26).

What are the key properties of 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?

6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 2375.15 g/mol, XLogP of 19.63, 32 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-aminopyrimidin-2-yl)-2-N-tert-butyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine;6-(4-aminopyrimidin-2-yl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(2-aminopyrimidin-4-yl)-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-4-N-(3,5-difluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4,6-dichloro-2-pyridinyl)-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157220485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).