N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

C115H140FN25O13S5 — CID 123962597

About N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (PubChem CID 123962597) has the molecular formula C115H140FN25O13S5 and a molecular weight of 2259.88 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

Molecular Properties

• Compound Name: N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• PubChem CID: 123962597
• Molecular Formula: C115H140FN25O13S5
• Molecular Weight: 2259.88 g/mol
• Exact Mass: 2257.97
• IUPAC Name: N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• SMILES: CC(C)[C@H](CO)Nc1nc(N2CCC(c3nc(-c4ccccc4)no3)CC2)nc2c1S(=O)CC2.CC(C)[C@H](CO)Nc1nc(N2CCC(c3nc(-c4cccnc4)no3)CC2)nc2c1S(=O)CC2.Cc1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.Cc1ccc(OC2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1.O=S1CCc2nc(N3CCC(c4ccccc4)CC3)nc(NC3(CO)CC3)c21
• InChI: InChI=1S/C24H25FN4O2S.C24H30N6O3S.C23H29N7O3S.C23H30N4O3S.C21H26N4O2S/c1-16-5-7-19(8-6-16)31-20-9-12-29(13-10-20)24-27-21-11-14-32(30)22(21)23(28-24)26-18-4-2-3-17(25)15-18;1-15(2)19(14-31)25-22-20-18(10-13-34(20)32)26-24(28-22)30-11-8-17(9-12-30)23-27-21(29-33-23)16-6-4-3-5-7-16;1-14(2)18(13-31)25-21-19-17(7-11-34(19)32)26-23(28-21)30-9-5-15(6-10-30)22-27-20(29-33-22)16-4-3-8-24-12-16;1-16-2-4-18(5-3-16)30-19-6-11-27(12-7-19)23-25-20-10-15-31(28)21(20)22(26-23)24-17-8-13-29-14-9-17;26-14-21(9-10-21)24-19-18-17(8-13-28(18)27)22-20(23-19)25-11-6-16(7-12-25)15-4-2-1-3-5-15/h2-8,15,20H,9-14H2,1H3,(H,26,27,28);3-7,15,17,19,31H,8-14H2,1-2H3,(H,25,26,28);3-4,8,12,14-15,18,31H,5-7,9-11,13H2,1-2H3,(H,25,26,28);2-5,17,19H,6-15H2,1H3,(H,24,25,26);1-5,16,26H,6-14H2,(H,22,23,24)/t;19-,34?;18-,34?;;/m.00../s1
• InChIKey: AAAQRPOIVLOUAE-MEMVDCIHSA-N
• XLogP: 15.33
• TPSA: 469.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2259.88
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The IUPAC name of N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (CID 123962597) is N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The canonical SMILES for N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is CC(C)[C@H](CO)Nc1nc(N2CCC(c3nc(-c4ccccc4)no3)CC2)nc2c1S(=O)CC2.CC(C)[C@H](CO)Nc1nc(N2CCC(c3nc(-c4cccnc4)no3)CC2)nc2c1S(=O)CC2.Cc1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.Cc1ccc(OC2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1.O=S1CCc2nc(N3CCC(c4ccccc4)CC3)nc(NC3(CO)CC3)c21.

What is the InChIKey of N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The InChIKey is AAAQRPOIVLOUAE-MEMVDCIHSA-N. The full InChI is InChI=1S/C24H25FN4O2S.C24H30N6O3S.C23H29N7O3S.C23H30N4O3S.C21H26N4O2S/c1-16-5-7-19(8-6-16)31-20-9-12-29(13-10-20)24-27-21-11-14-32(30)22(21)23(28-24)26-18-4-2-3-17(25)15-18;1-15(2)19(14-31)25-22-20-18(10-13-34(20)32)26-24(28-22)30-11-8-17(9-12-30)23-27-21(29-33-23)16-6-4-3-5-7-16;1-14(2)18(13-31)25-21-19-17(7-11-34(19)32)26-23(28-21)30-9-5-15(6-10-30)22-27-20(29-33-22)16-4-3-8-24-12-16;1-16-2-4-18(5-3-16)30-19-6-11-27(12-7-19)23-25-20-10-15-31(28)21(20)22(26-23)24-17-8-13-29-14-9-17;26-14-21(9-10-21)24-19-18-17(8-13-28(18)27)22-20(23-19)25-11-6-16(7-12-25)15-4-2-1-3-5-15/h2-8,15,20H,9-14H2,1H3,(H,26,27,28);3-7,15,17,19,31H,8-14H2,1-2H3,(H,25,26,28);3-4,8,12,14-15,18,31H,5-7,9-11,13H2,1-2H3,(H,25,26,28);2-5,17,19H,6-15H2,1H3,(H,24,25,26);1-5,16,26H,6-14H2,(H,22,23,24)/t;19-,34?;18-,34?;;/m.00../s1.

What are the key properties of N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol has a molecular weight of 2259.88 g/mol, XLogP of 15.33, 29 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is sourced from PubChem (CID 123962597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).