methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C133H186N26O18S6 — CID 157174958

About methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 157174958) has the molecular formula C133H186N26O18S6 and a molecular weight of 2629.52 g/mol. Its IUPAC name is methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 157174958
• Molecular Formula: C133H186N26O18S6
• Molecular Weight: 2629.52 g/mol
• Exact Mass: 2627.28
• IUPAC Name: methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: C.C.C.COC1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.Cc1ccc(OC2CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)cc1.Cc1ccc(OC2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)CC2)cc1.Cc1ccc(OC2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)cc1.O=S1CCc2nc(N3CCC(OCc4ccccc4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC(Oc4ccccn4)CC3)nc(NC3CCOCC3)c21
• InChI: InChI=1S/C24H31N5O3S.C23H30N4O3S.C23H32N4O3S.C22H28N4O3S.C21H27N5O3S.C17H26N4O3S.3CH4/c1-16-3-6-18(7-4-16)32-19-9-12-29(13-10-19)24-26-20-11-14-33(31)22(20)23(27-24)25-17-5-8-21(30)28(2)15-17;28-31-15-10-20-21(31)22(24-18-8-13-29-14-9-18)26-23(25-20)27-11-6-19(7-12-27)30-16-17-4-2-1-3-5-17;1-15(2)20(14-28)24-22-21-19(10-13-31(21)29)25-23(26-22)27-11-8-18(9-12-27)30-17-6-4-16(3)5-7-17;1-15-2-4-16(5-3-15)29-17-6-11-26(12-7-17)21-23-18-8-13-30(28)19(18)20(24-21)25-22(14-27)9-10-22;27-30-14-8-17-19(30)20(23-15-6-12-28-13-7-15)25-21(24-17)26-10-4-16(5-11-26)29-18-3-1-2-9-22-18;1-23-13-2-7-21(8-3-13)17-19-14-6-11-25(22)15(14)16(20-17)18-12-4-9-24-10-5-12;;;/h3-4,6-7,17,19H,5,8-15H2,1-2H3,(H,25,26,27);1-5,18-19H,6-16H2,(H,24,25,26);4-7,15,18,20,28H,8-14H2,1-3H3,(H,24,25,26);2-5,17,27H,6-14H2,1H3,(H,23,24,25);1-3,9,15-16H,4-8,10-14H2,(H,23,24,25);12-13H,2-11H2,1H3,(H,18,19,20);3*1H4/t17-,33?;;20-,31?;;;;;;/m0.0....../s1
• InChIKey: ANWZUCOOBIKQNY-RXFUMHOESA-N
• XLogP: 16.23
• TPSA: 505.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2629.52
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 157174958) is methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.C.COC1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.Cc1ccc(OC2CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)cc1.Cc1ccc(OC2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)CC2)cc1.Cc1ccc(OC2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)cc1.O=S1CCc2nc(N3CCC(OCc4ccccc4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC(Oc4ccccn4)CC3)nc(NC3CCOCC3)c21.

What is the InChIKey of methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is ANWZUCOOBIKQNY-RXFUMHOESA-N. The full InChI is InChI=1S/C24H31N5O3S.C23H30N4O3S.C23H32N4O3S.C22H28N4O3S.C21H27N5O3S.C17H26N4O3S.3CH4/c1-16-3-6-18(7-4-16)32-19-9-12-29(13-10-19)24-26-20-11-14-33(31)22(20)23(27-24)25-17-5-8-21(30)28(2)15-17;28-31-15-10-20-21(31)22(24-18-8-13-29-14-9-18)26-23(25-20)27-11-6-19(7-12-27)30-16-17-4-2-1-3-5-17;1-15(2)20(14-28)24-22-21-19(10-13-31(21)29)25-23(26-22)27-11-8-18(9-12-27)30-17-6-4-16(3)5-7-17;1-15-2-4-16(5-3-15)29-17-6-11-26(12-7-17)21-23-18-8-13-30(28)19(18)20(24-21)25-22(14-27)9-10-22;27-30-14-8-17-19(30)20(23-15-6-12-28-13-7-15)25-21(24-17)26-10-4-16(5-11-26)29-18-3-1-2-9-22-18;1-23-13-2-7-21(8-3-13)17-19-14-6-11-25(22)15(14)16(20-17)18-12-4-9-24-10-5-12;;;/h3-4,6-7,17,19H,5,8-15H2,1-2H3,(H,25,26,27);1-5,18-19H,6-16H2,(H,24,25,26);4-7,15,18,20,28H,8-14H2,1-3H3,(H,24,25,26);2-5,17,27H,6-14H2,1H3,(H,23,24,25);1-3,9,15-16H,4-8,10-14H2,(H,23,24,25);12-13H,2-11H2,1H3,(H,18,19,20);3*1H4/t17-,33?;;20-,31?;;;;;;/m0.0....../s1.

What are the key properties of methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 2629.52 g/mol, XLogP of 16.23, 33 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-(4-methoxypiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(2R)-3-methyl-2-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[1-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;N-(oxan-4-yl)-5-oxo-2-(4-phenylmethoxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157174958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).