5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol

C71H88N30O8S2 — CID 159915749

About 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol

5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol (PubChem CID 159915749) has the molecular formula C71H88N30O8S2 and a molecular weight of 1553.82 g/mol. Its IUPAC name is 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol.

Molecular Properties

• Compound Name: 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol
• PubChem CID: 159915749
• Molecular Formula: C71H88N30O8S2
• Molecular Weight: 1553.82 g/mol
• Exact Mass: 1552.68
• IUPAC Name: 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol
• SMILES: C=S(C)(=O)N1CCN(Cc2cn3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1.C=S(C)(=O)N1CCN(Cc2nnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nn23)CC1.Cc1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)cn12.Oc1cccc(-c2nc(N3CCOCC3)c3nccn3n2)c1
• InChI: InChI=1S/C20H28N10O2S.C19H27N11O2S.C17H18N4O2.C15H15N5O2/c1-33(2,31)29-5-3-27(4-6-29)13-16-14-30-19(24-16)18(28-7-9-32-10-8-28)25-17(26-30)15-11-22-20(21)23-12-15;1-33(2,31)29-5-3-27(4-6-29)13-15-24-25-18-17(28-7-9-32-10-8-28)23-16(26-30(15)18)14-11-21-19(20)22-12-14;1-12-10-18-16-17(20-5-7-23-8-6-20)19-15(11-21(12)16)13-3-2-4-14(22)9-13;21-12-3-1-2-11(10-12)13-17-15(19-6-8-22-9-7-19)14-16-4-5-20(14)18-13/h11-12,14H,1,3-10,13H2,2H3,(H2,21,22,23);11-12H,1,3-10,13H2,2H3,(H2,20,21,22);2-4,9-11,22H,5-8H2,1H3;1-5,10,21H,6-9H2
• InChIKey: NXTIESFLXAKTLA-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 413.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1553.82
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol?

The IUPAC name of 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol (CID 159915749) is 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol.

What is the SMILES notation for 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol?

The canonical SMILES for 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol is C=S(C)(=O)N1CCN(Cc2cn3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1.C=S(C)(=O)N1CCN(Cc2nnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nn23)CC1.Cc1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)cn12.Oc1cccc(-c2nc(N3CCOCC3)c3nccn3n2)c1.

What is the InChIKey of 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol?

The InChIKey is NXTIESFLXAKTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N10O2S.C19H27N11O2S.C17H18N4O2.C15H15N5O2/c1-33(2,31)29-5-3-27(4-6-29)13-16-14-30-19(24-16)18(28-7-9-32-10-8-28)25-17(26-30)15-11-22-20(21)23-12-15;1-33(2,31)29-5-3-27(4-6-29)13-15-24-25-18-17(28-7-9-32-10-8-28)23-16(26-30(15)18)14-11-21-19(20)22-12-14;1-12-10-18-16-17(20-5-7-23-8-6-20)19-15(11-21(12)16)13-3-2-4-14(22)9-13;21-12-3-1-2-11(10-12)13-17-15(19-6-8-22-9-7-19)14-16-4-5-20(14)18-13/h11-12,14H,1,3-10,13H2,2H3,(H2,21,22,23);11-12H,1,3-10,13H2,2H3,(H2,20,21,22);2-4,9-11,22H,5-8H2,1H3;1-5,10,21H,6-9H2.

What are the key properties of 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol?

5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol has a molecular weight of 1553.82 g/mol, XLogP of 1.73, 14 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine;5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine;3-(3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;3-(4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazin-2-yl)phenol is sourced from PubChem (CID 159915749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).