5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine

C88H110ClF3N28O2S3 — CID 164960409

About 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine

5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 164960409) has the molecular formula C88H110ClF3N28O2S3 and a molecular weight of 1780.69 g/mol. Its IUPAC name is 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine
• PubChem CID: 164960409
• Molecular Formula: C88H110ClF3N28O2S3
• Molecular Weight: 1780.69 g/mol
• Exact Mass: 1778.82
• IUPAC Name: 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine
• SMILES: CSc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(Cl)ncc2C(C)C)c(N)n1
• InChI: InChI=1S/C15H17F3N4.C15H18N8.C15H20N4O2S.C15H20N4S.C15H20N4.C13H15ClN4S/c1-8(2)12-7-21-13(15(16,17)18)5-10(12)4-11-6-20-9(3)22-14(11)19;1-8(2)12-7-18-13(15-20-22-23-21-15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-9(2)13-8-18-14(22(4,20)21)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)14-8-17-10(3)5-12(14)6-13-7-18-11(4)19-15(13)16;1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15/h5-8H,4H2,1-3H3,(H2,19,20,22);5-8,15H,4H2,1-3H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);5,7-9H,6H2,1-4H3,(H2,16,18,19);4-7H,1-3H3,(H2,15,16,18)
• InChIKey: BTKGAWCYQMGHMU-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 471.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1780.69
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?

The IUPAC name of 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine (CID 164960409) is 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine.

What is the SMILES notation for 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?

The canonical SMILES for 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine is CSc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(Cl)ncc2C(C)C)c(N)n1.

What is the InChIKey of 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?

The InChIKey is BTKGAWCYQMGHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4.C15H18N8.C15H20N4O2S.C15H20N4S.C15H20N4.C13H15ClN4S/c1-8(2)12-7-21-13(15(16,17)18)5-10(12)4-11-6-20-9(3)22-14(11)19;1-8(2)12-7-18-13(15-20-22-23-21-15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-9(2)13-8-18-14(22(4,20)21)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)14-8-17-10(3)5-12(14)6-13-7-18-11(4)19-15(13)16;1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15/h5-8H,4H2,1-3H3,(H2,19,20,22);5-8,15H,4H2,1-3H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);5,7-9H,6H2,1-4H3,(H2,16,18,19);4-7H,1-3H3,(H2,15,16,18).

What are the key properties of 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?

5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 1780.69 g/mol, XLogP of 18.36, 21 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 164960409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).