(2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C93H129N21O8S4 — CID 158185690

About (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

(2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 158185690) has the molecular formula C93H129N21O8S4 and a molecular weight of 1797.46 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 158185690
• Molecular Formula: C93H129N21O8S4
• Molecular Weight: 1797.46 g/mol
• Exact Mass: 1795.92
• IUPAC Name: (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: Cc1ccc(N2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)[C@@H](C)C2)cc1.Cc1ccc(N2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)[C@@H](C)C2)cc1.Cc1ccc(N2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)[C@H](C)C2)cc1.Cc1ccc(N2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)[C@@H](C)C2)cc1
• InChI: InChI=1S/C24H32N6O2S.C23H31N5O2S.2C23H33N5O2S/c1-16-4-7-19(8-5-16)29-11-12-30(17(2)14-29)24-26-20-10-13-33(32)22(20)23(27-24)25-18-6-9-21(31)28(3)15-18;1-16-3-5-19(6-4-16)27-10-11-28(17(2)15-27)23-25-20-9-14-31(29)21(20)22(26-23)24-18-7-12-30-13-8-18;2*1-15(2)20(14-29)24-22-21-19(9-12-31(21)30)25-23(26-22)28-11-10-27(13-17(28)4)18-7-5-16(3)6-8-18/h4-5,7-8,17-18H,6,9-15H2,1-3H3,(H,25,26,27);3-6,17-18H,7-15H2,1-2H3,(H,24,25,26);2*5-8,15,17,20,29H,9-14H2,1-4H3,(H,24,25,26)/t17-,18-,33?;17-,31?;17-,20+,31?;17-,20-,31?/m0010/s1
• InChIKey: FZCMWBLUVIPXKC-UKTHKGCISA-N
• XLogP: 10.14
• TPSA: 315.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.46
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 158185690) is (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cc1ccc(N2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)[C@@H](C)C2)cc1.Cc1ccc(N2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)[C@@H](C)C2)cc1.Cc1ccc(N2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)[C@H](C)C2)cc1.Cc1ccc(N2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)[C@@H](C)C2)cc1.

What is the InChIKey of (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is FZCMWBLUVIPXKC-UKTHKGCISA-N. The full InChI is InChI=1S/C24H32N6O2S.C23H31N5O2S.2C23H33N5O2S/c1-16-4-7-19(8-5-16)29-11-12-30(17(2)14-29)24-26-20-10-13-33(32)22(20)23(27-24)25-18-6-9-21(31)28(3)15-18;1-16-3-5-19(6-4-16)27-10-11-28(17(2)15-27)23-25-20-9-14-31(29)21(20)22(26-23)24-18-7-12-30-13-8-18;2*1-15(2)20(14-29)24-22-21-19(9-12-31(21)30)25-23(26-22)28-11-10-27(13-17(28)4)18-7-5-16(3)6-8-18/h4-5,7-8,17-18H,6,9-15H2,1-3H3,(H,25,26,27);3-6,17-18H,7-15H2,1-2H3,(H,24,25,26);2*5-8,15,17,20,29H,9-14H2,1-4H3,(H,24,25,26)/t17-,18-,33?;17-,31?;17-,20+,31?;17-,20-,31?/m0010/s1.

What are the key properties of (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

(2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1797.46 g/mol, XLogP of 10.14, 20 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-methyl-2-[[2-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(5S)-1-methyl-5-[[2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;2-[(2S)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158185690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).