methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C76H108N14O10S4 — CID 158807508

About methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 158807508) has the molecular formula C76H108N14O10S4 and a molecular weight of 1506.06 g/mol. Its IUPAC name is methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 158807508
• Molecular Formula: C76H108N14O10S4
• Molecular Weight: 1506.06 g/mol
• Exact Mass: 1504.73
• IUPAC Name: methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: C.C.CC(C)c1ccccc1OC1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.CN1C[C@@H](Nc2nc(N3CCC(CN(C)S(C)(=O)=O)(c4ccccc4)CC3)nc3c2S(=O)CC3)CCC1=O.Cc1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1
• InChI: InChI=1S/C26H36N6O4S2.C25H34N4O3S.C23H30N4O3S.2CH4/c1-30-17-20(9-10-22(30)33)27-24-23-21(11-16-37(23)34)28-25(29-24)32-14-12-26(13-15-32,18-31(2)38(3,35)36)19-7-5-4-6-8-19;1-17(2)20-5-3-4-6-22(20)32-19-7-12-29(13-8-19)25-27-21-11-16-33(30)23(21)24(28-25)26-18-9-14-31-15-10-18;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;;/h4-8,20H,9-18H2,1-3H3,(H,27,28,29);3-6,17-19H,7-16H2,1-2H3,(H,26,27,28);2-5,17,19H,6-15H2,1H3,(H,24,25,26);2*1H4/t20-,37?;;;;/m0..../s1
• InChIKey: IUGNAKASSNZZME-BXHFAPGISA-N
• XLogP: 9.86
• TPSA: 268.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.06
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 158807508) is methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.CC(C)c1ccccc1OC1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.CN1C[C@@H](Nc2nc(N3CCC(CN(C)S(C)(=O)=O)(c4ccccc4)CC3)nc3c2S(=O)CC3)CCC1=O.Cc1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.

What is the InChIKey of methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is IUGNAKASSNZZME-BXHFAPGISA-N. The full InChI is InChI=1S/C26H36N6O4S2.C25H34N4O3S.C23H30N4O3S.2CH4/c1-30-17-20(9-10-22(30)33)27-24-23-21(11-16-37(23)34)28-25(29-24)32-14-12-26(13-15-32,18-31(2)38(3,35)36)19-7-5-4-6-8-19;1-17(2)20-5-3-4-6-22(20)32-19-7-12-29(13-8-19)25-27-21-11-16-33(30)23(21)24(28-25)26-18-9-14-31-15-10-18;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;;/h4-8,20H,9-18H2,1-3H3,(H,27,28,29);3-6,17-19H,7-16H2,1-2H3,(H,26,27,28);2-5,17,19H,6-15H2,1H3,(H,24,25,26);2*1H4/t20-,37?;;;;/m0..../s1.

What are the key properties of methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1506.06 g/mol, XLogP of 9.86, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-methyl-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide;2-[4-(4-methylphenoxy)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(2-propan-2-ylphenoxy)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158807508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).