[1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C121H166N20O15S5 — CID 123741108

IUPAC[1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCOCC1(c2ccc(C)cc2)CCN(c2nc3c(c(NC4(CO)CC4)n2)S(=O)CC3)CC1.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(N[C@@H](CO)C(C)C)n2)S(=O)CC3)CC1.Cc1ccc(C2(CO)CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)cc1.Cc1ccc(C2(CO)CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C25H34N4O3S.C25H36N4O3S.C24H32N4O3S.C24H34N4O3S.C23H30N4O3S/c1-18-3-5-19(6-4-18)25(17-31-2)10-12-29(13-11-25)24-27-21-9-16-33(30)22(21)23(28-24)26-20-7-14-32-15-8-20;1-17(2)21(15-30)26-23-22-20(9-14-33(22)31)27-24(28-23)29-12-10-25(11-13-29,16-32-4)19-7-5-18(3)6-8-19;1-17-3-5-18(6-4-17)23(16-31-2)10-12-28(13-11-23)22-25-19-7-14-32(30)20(19)21(26-22)27-24(15-29)8-9-24;1-16(2)20(14-29)25-22-21-19(8-13-32(21)31)26-23(27-22)28-11-9-24(15-30,10-12-28)18-6-4-17(3)5-7-18;1-16-2-4-17(5-3-16)22(14-28)9-11-27(12-10-22)21-24-18-6-13-31(30)19(18)20(25-21)26-23(15-29)7-8-23/h3-6,20H,7-17H2,1-2H3,(H,26,27,28);5-8,17,21,30H,9-16H2,1-4H3,(H,26,27,28);3-6,29H,7-16H2,1-2H3,(H,25,26,27);4-7,16,20,29-30H,8-15H2,1-3H3,(H,25,26,27);2-5,28-29H,6-15H2,1H3,(H,24,25,26)/t;21-,33?;;20-,32?;/m.0.0./s1
InChIKeyWNXGSVWNJLKZKO-KWXRXPSMSA-N
MW2301.12 g/mol
LogP13.18
Rot. Bonds34

About [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

[1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 123741108) has the molecular formula C121H166N20O15S5 and a molecular weight of 2301.12 g/mol. Its IUPAC name is [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name[1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID123741108
Molecular FormulaC121H166N20O15S5
Molecular Weight2301.12 g/mol
Exact Mass2299.14
IUPAC Name[1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCOCC1(c2ccc(C)cc2)CCN(c2nc3c(c(NC4(CO)CC4)n2)S(=O)CC3)CC1.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(N[C@@H](CO)C(C)C)n2)S(=O)CC3)CC1.Cc1ccc(C2(CO)CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)cc1.Cc1ccc(C2(CO)CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C25H34N4O3S.C25H36N4O3S.C24H32N4O3S.C24H34N4O3S.C23H30N4O3S/c1-18-3-5-19(6-4-18)25(17-31-2)10-12-29(13-11-25)24-27-21-9-16-33(30)22(21)23(28-24)26-20-7-14-32-15-8-20;1-17(2)21(15-30)26-23-22-20(9-14-33(22)31)27-24(28-23)29-12-10-25(11-13-29,16-32-4)19-7-5-18(3)6-8-19;1-17-3-5-18(6-4-17)23(16-31-2)10-12-28(13-11-23)22-25-19-7-14-32(30)20(19)21(26-22)27-24(15-29)8-9-24;1-16(2)20(14-29)25-22-21-19(8-13-32(21)31)26-23(27-22)28-11-9-24(15-30,10-12-28)18-6-4-17(3)5-7-18;1-16-2-4-17(5-3-16)22(14-28)9-11-27(12-10-22)21-24-18-6-13-31(30)19(18)20(25-21)26-23(15-29)7-8-23/h3-6,20H,7-17H2,1-2H3,(H,26,27,28);5-8,17,21,30H,9-16H2,1-4H3,(H,26,27,28);3-6,29H,7-16H2,1-2H3,(H,25,26,27);4-7,16,20,29-30H,8-15H2,1-3H3,(H,25,26,27);2-5,28-29H,6-15H2,1H3,(H,24,25,26)/t;21-,33?;;20-,32?;/m.0.0./s1
InChIKeyWNXGSVWNJLKZKO-KWXRXPSMSA-N
XLogP13.18
TPSA448.90 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002301.12
LogP ≤ 513.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 123741108) is [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(NC4(CO)CC4)n2)S(=O)CC3)CC1.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(N[C@@H](CO)C(C)C)n2)S(=O)CC3)CC1.Cc1ccc(C2(CO)CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)cc1.Cc1ccc(C2(CO)CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)CC2)cc1.
What is the InChIKey of [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is WNXGSVWNJLKZKO-KWXRXPSMSA-N. The full InChI is InChI=1S/C25H34N4O3S.C25H36N4O3S.C24H32N4O3S.C24H34N4O3S.C23H30N4O3S/c1-18-3-5-19(6-4-18)25(17-31-2)10-12-29(13-11-25)24-27-21-9-16-33(30)22(21)23(28-24)26-20-7-14-32-15-8-20;1-17(2)21(15-30)26-23-22-20(9-14-33(22)31)27-24(28-23)29-12-10-25(11-13-29,16-32-4)19-7-5-18(3)6-8-19;1-17-3-5-18(6-4-17)23(16-31-2)10-12-28(13-11-23)22-25-19-7-14-32(30)20(19)21(26-22)27-24(15-29)8-9-24;1-16(2)20(14-29)25-22-21-19(8-13-32(21)31)26-23(27-22)28-11-9-24(15-30,10-12-28)18-6-4-17(3)5-7-18;1-16-2-4-17(5-3-16)22(14-28)9-11-27(12-10-22)21-24-18-6-13-31(30)19(18)20(25-21)26-23(15-29)7-8-23/h3-6,20H,7-17H2,1-2H3,(H,26,27,28);5-8,17,21,30H,9-16H2,1-4H3,(H,26,27,28);3-6,29H,7-16H2,1-2H3,(H,25,26,27);4-7,16,20,29-30H,8-15H2,1-3H3,(H,25,26,27);2-5,28-29H,6-15H2,1H3,(H,24,25,26)/t;21-,33?;;20-,32?;/m.0.0./s1.
What are the key properties of [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
[1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 2301.12 g/mol, XLogP of 13.18, 34 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;(2R)-2-[[2-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;(2R)-2-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 123741108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).