4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine

C90H114F3N25O4S3 — CID 158129139

About 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine

4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 158129139) has the molecular formula C90H114F3N25O4S3 and a molecular weight of 1763.27 g/mol. Its IUPAC name is 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine
• PubChem CID: 158129139
• Molecular Formula: C90H114F3N25O4S3
• Molecular Weight: 1763.27 g/mol
• Exact Mass: 1761.86
• IUPAC Name: 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine
• SMILES: C#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.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(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
• InChI: InChI=1S/C16H18N4.C15H17F3N4.C15H20N4O2S.C15H20N4S.C15H20N4.C14H19N5O2S/c1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-8(2)12-7-21-13(15(16,17)18)5-10(12)4-11-6-20-9(3)22-14(11)19;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;1-8(2)12-7-18-13(22(16,20)21)5-10(12)4-11-6-17-9(3)19-14(11)15/h1,7-10H,6H2,2-4H3,(H2,17,18,20);5-8H,4H2,1-3H3,(H2,19,20,22);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);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21)
• InChIKey: FSOBYHYDUKTHQF-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 482.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.27
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?

The IUPAC name of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine (CID 158129139) is 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine.

What is the SMILES notation for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?

The canonical SMILES for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine is C#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.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(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.

What is the InChIKey of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?

The InChIKey is FSOBYHYDUKTHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4.C15H17F3N4.C15H20N4O2S.C15H20N4S.C15H20N4.C14H19N5O2S/c1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-8(2)12-7-21-13(15(16,17)18)5-10(12)4-11-6-20-9(3)22-14(11)19;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;1-8(2)12-7-18-13(22(16,20)21)5-10(12)4-11-6-17-9(3)19-14(11)15/h1,7-10H,6H2,2-4H3,(H2,17,18,20);5-8H,4H2,1-3H3,(H2,19,20,22);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);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21).

What are the key properties of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?

4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 1763.27 g/mol, XLogP of 14.94, 21 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-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-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 158129139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).