5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine

C100H138N26O8S4 — CID 158691405

IUPAC5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)c1nsc2nc(Cc3cnn(CC4COC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cc1csc2nc(Cc3cnn(C4COC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cn1cc(Cc2nc(NC3CCC(N4CCOCC4)CC3)c3c(C4CCOCC4)nsc3n2)cn1
InChIInChI=1S/C26H37N7O2S.C25H35N7O2S.C25H34N6O2S.C24H32N6O2S/c1-17(2)24-23-25(28-20-3-5-21(6-4-20)32-7-9-34-10-8-32)29-22(30-26(23)36-31-24)11-18-12-27-33(13-18)14-19-15-35-16-19;1-31-16-17(15-26-31)14-21-28-24(22-23(30-35-25(22)29-21)18-6-10-33-11-7-18)27-19-2-4-20(5-3-19)32-8-12-34-13-9-32;1-17-16-34-25-23(17)24(27-19-2-4-20(5-3-19)30-7-10-32-11-8-30)28-22(29-25)12-18-13-26-31(14-18)21-6-9-33-15-21;1-16-15-33-24-22(16)23(26-18-2-4-19(5-3-18)29-6-8-31-9-7-29)27-21(28-24)10-17-11-25-30(12-17)20-13-32-14-20/h12-13,17,19-21H,3-11,14-16H2,1-2H3,(H,28,29,30);15-16,18-20H,2-14H2,1H3,(H,27,28,29);13-14,16,19-21H,2-12,15H2,1H3,(H,27,28,29);11-12,15,18-20H,2-10,13-14H2,1H3,(H,26,27,28)
InChIKeyIGJWBTQAJGRBBB-UHFFFAOYSA-N
MW1960.65 g/mol
LogP14.28
Rot. Bonds26

About 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine

5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158691405) has the molecular formula C100H138N26O8S4 and a molecular weight of 1960.65 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
PubChem CID158691405
Molecular FormulaC100H138N26O8S4
Molecular Weight1960.65 g/mol
Exact Mass1959.01
IUPAC Name5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)c1nsc2nc(Cc3cnn(CC4COC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cc1csc2nc(Cc3cnn(C4COC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cn1cc(Cc2nc(NC3CCC(N4CCOCC4)CC3)c3c(C4CCOCC4)nsc3n2)cn1
InChIInChI=1S/C26H37N7O2S.C25H35N7O2S.C25H34N6O2S.C24H32N6O2S/c1-17(2)24-23-25(28-20-3-5-21(6-4-20)32-7-9-34-10-8-32)29-22(30-26(23)36-31-24)11-18-12-27-33(13-18)14-19-15-35-16-19;1-31-16-17(15-26-31)14-21-28-24(22-23(30-35-25(22)29-21)18-6-10-33-11-7-18)27-19-2-4-20(5-3-19)32-8-12-34-13-9-32;1-17-16-34-25-23(17)24(27-19-2-4-20(5-3-19)30-7-10-32-11-8-30)28-22(29-25)12-18-13-26-31(14-18)21-6-9-33-15-21;1-16-15-33-24-22(16)23(26-18-2-4-19(5-3-18)29-6-8-31-9-7-29)27-21(28-24)10-17-11-25-30(12-17)20-13-32-14-20/h12-13,17,19-21H,3-11,14-16H2,1-2H3,(H,28,29,30);15-16,18-20H,2-14H2,1H3,(H,27,28,29);13-14,16,19-21H,2-12,15H2,1H3,(H,27,28,29);11-12,15,18-20H,2-10,13-14H2,1H3,(H,26,27,28)
InChIKeyIGJWBTQAJGRBBB-UHFFFAOYSA-N
XLogP14.28
TPSA335.10 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.65
LogP ≤ 514.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (CID 158691405) is 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is CC(C)c1nsc2nc(Cc3cnn(CC4COC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cc1csc2nc(Cc3cnn(C4COC4)c3)nc(NC3CCC(N4CCOCC4)CC3)c12.Cn1cc(Cc2nc(NC3CCC(N4CCOCC4)CC3)c3c(C4CCOCC4)nsc3n2)cn1.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IGJWBTQAJGRBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2S.C25H35N7O2S.C25H34N6O2S.C24H32N6O2S/c1-17(2)24-23-25(28-20-3-5-21(6-4-20)32-7-9-34-10-8-32)29-22(30-26(23)36-31-24)11-18-12-27-33(13-18)14-19-15-35-16-19;1-31-16-17(15-26-31)14-21-28-24(22-23(30-35-25(22)29-21)18-6-10-33-11-7-18)27-19-2-4-20(5-3-19)32-8-12-34-13-9-32;1-17-16-34-25-23(17)24(27-19-2-4-20(5-3-19)30-7-10-32-11-8-30)28-22(29-25)12-18-13-26-31(14-18)21-6-9-33-15-21;1-16-15-33-24-22(16)23(26-18-2-4-19(5-3-18)29-6-8-31-9-7-29)27-21(28-24)10-17-11-25-30(12-17)20-13-32-14-20/h12-13,17,19-21H,3-11,14-16H2,1-2H3,(H,28,29,30);15-16,18-20H,2-14H2,1H3,(H,27,28,29);13-14,16,19-21H,2-12,15H2,1H3,(H,27,28,29);11-12,15,18-20H,2-10,13-14H2,1H3,(H,26,27,28).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1960.65 g/mol, XLogP of 14.28, 26 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxetan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-(4-morpholin-4-ylcyclohexyl)-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;6-[(1-methylpyrazol-4-yl)methyl]-N-(4-morpholin-4-ylcyclohexyl)-3-(oxan-4-yl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(4-morpholin-4-ylcyclohexyl)-6-[[1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158691405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).