N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide

C103H103N21O6S4 — CID 162065829

About N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide

N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide (PubChem CID 162065829) has the molecular formula C103H103N21O6S4 and a molecular weight of 1859.37 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide
• PubChem CID: 162065829
• Molecular Formula: C103H103N21O6S4
• Molecular Weight: 1859.37 g/mol
• Exact Mass: 1857.73
• IUPAC Name: N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide
• SMILES: CC(O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.COCC(C)Nc1nc(-c2ccccn2)nc2sc(C)c(-c3ccccc3)c12.Cc1sc2nc(-c3ccccn3)nc(NCCCO)c2c1-c1ccccc1.NC(=O)C1(CNc2nc(-c3ccccn3)nc3c2CCC3)CCCC1.OCCOCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12
• InChI: InChI=1S/C22H22N4OS.C21H20N4O2S.C21H20N4OS.C20H18N4OS.C19H23N5O/c1-14(13-27-3)24-21-19-18(16-9-5-4-6-10-16)15(2)28-22(19)26-20(25-21)17-11-7-8-12-23-17;26-11-13-27-12-10-23-20-18-16(15-6-2-1-3-7-15)14-28-21(18)25-19(24-20)17-8-4-5-9-22-17;1-14-17(15-8-3-2-4-9-15)18-20(23-12-7-13-26)24-19(25-21(18)27-14)16-10-5-6-11-22-16;1-13(25)11-22-19-17-15(14-7-3-2-4-8-14)12-26-20(17)24-18(23-19)16-9-5-6-10-21-16;20-18(25)19(9-2-3-10-19)12-22-16-13-6-5-8-14(13)23-17(24-16)15-7-1-4-11-21-15/h4-12,14H,13H2,1-3H3,(H,24,25,26);1-9,14,26H,10-13H2,(H,23,24,25);2-6,8-11,26H,7,12-13H2,1H3,(H,23,24,25);2-10,12-13,25H,11H2,1H3,(H,22,23,24);1,4,7,11H,2-3,5-6,8-10,12H2,(H2,20,25)(H,22,23,24)
• InChIKey: ZALFTXUAVCRIHF-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 375.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1859.37
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide?

The IUPAC name of N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide (CID 162065829) is N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide?

The canonical SMILES for N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide is CC(O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.COCC(C)Nc1nc(-c2ccccn2)nc2sc(C)c(-c3ccccc3)c12.Cc1sc2nc(-c3ccccn3)nc(NCCCO)c2c1-c1ccccc1.NC(=O)C1(CNc2nc(-c3ccccn3)nc3c2CCC3)CCCC1.OCCOCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.

What is the InChIKey of N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide?

The InChIKey is ZALFTXUAVCRIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS.C21H20N4O2S.C21H20N4OS.C20H18N4OS.C19H23N5O/c1-14(13-27-3)24-21-19-18(16-9-5-4-6-10-16)15(2)28-22(19)26-20(25-21)17-11-7-8-12-23-17;26-11-13-27-12-10-23-20-18-16(15-6-2-1-3-7-15)14-28-21(18)25-19(24-20)17-8-4-5-9-22-17;1-14-17(15-8-3-2-4-9-15)18-20(23-12-7-13-26)24-19(25-21(18)27-14)16-10-5-6-11-22-16;1-13(25)11-22-19-17-15(14-7-3-2-4-8-14)12-26-20(17)24-18(23-19)16-9-5-6-10-21-16;20-18(25)19(9-2-3-10-19)12-22-16-13-6-5-8-14(13)23-17(24-16)15-7-1-4-11-21-15/h4-12,14H,13H2,1-3H3,(H,24,25,26);1-9,14,26H,10-13H2,(H,23,24,25);2-6,8-11,26H,7,12-13H2,1H3,(H,23,24,25);2-10,12-13,25H,11H2,1H3,(H,22,23,24);1,4,7,11H,2-3,5-6,8-10,12H2,(H2,20,25)(H,22,23,24).

What are the key properties of N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide?

N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide has a molecular weight of 1859.37 g/mol, XLogP of 20.24, 30 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 162065829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).