N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C119H160N22O2S6 — CID 159823130

About N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 159823130) has the molecular formula C119H160N22O2S6 and a molecular weight of 2123.14 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
• PubChem CID: 159823130
• Molecular Formula: C119H160N22O2S6
• Molecular Weight: 2123.14 g/mol
• Exact Mass: 2121.14
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
• SMILES: CC1(C)CCc2sc3ncnc(NC4CCC(N)CC4)c3c2C1.CC1CCc2c(sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)C1.CC1CCc2sc3ncnc(NC4CCCC(O)C4)c3c2C1.CCC1CCc2c(sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)C1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)CC(C)(C)CC4)CC1.C[C@@H]1CCc2sc3ncnc(NC4CCC(O)CC4)c3c2C1
• InChI: InChI=1S/C24H30N4S.C23H28N4S.C20H30N4S.C18H26N4S.2C17H23N3OS/c1-2-17-8-9-20-21(14-17)29-24-22(20)23(25-16-26-24)27-19-10-12-28(13-11-19)15-18-6-4-3-5-7-18;1-16-7-8-19-20(13-16)28-23-21(19)22(24-15-25-23)26-18-9-11-27(12-10-18)14-17-5-3-2-4-6-17;1-20(2)10-9-16-15(11-20)17-18(21-12-22-19(17)25-16)23-13-5-7-14(8-6-13)24(3)4;1-18(2)8-7-14-13(9-18)15-16(20-10-21-17(15)23-14)22-12-5-3-11(19)4-6-12;1-10-2-7-14-13(8-10)15-16(18-9-19-17(15)22-14)20-11-3-5-12(21)6-4-11;1-10-5-6-14-13(7-10)15-16(18-9-19-17(15)22-14)20-11-3-2-4-12(21)8-11/h3-7,16-17,19H,2,8-15H2,1H3,(H,25,26,27);2-6,15-16,18H,7-14H2,1H3,(H,24,25,26);12-14H,5-11H2,1-4H3,(H,21,22,23);10-12H,3-9,19H2,1-2H3,(H,20,21,22);2*9-12,21H,2-8H2,1H3,(H,18,19,20)/t;;;;10-,11?,12?;/m....1./s1
• InChIKey: NMMMMVWVCVGJQC-OCIWSPQGSA-N
• XLogP: 25.62
• TPSA: 303.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.14
LogP ≤ 5	25.62
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 159823130) is N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is CC1(C)CCc2sc3ncnc(NC4CCC(N)CC4)c3c2C1.CC1CCc2c(sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)C1.CC1CCc2sc3ncnc(NC4CCCC(O)C4)c3c2C1.CCC1CCc2c(sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)C1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)CC(C)(C)CC4)CC1.C[C@@H]1CCc2sc3ncnc(NC4CCC(O)CC4)c3c2C1.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?

The InChIKey is NMMMMVWVCVGJQC-OCIWSPQGSA-N. The full InChI is InChI=1S/C24H30N4S.C23H28N4S.C20H30N4S.C18H26N4S.2C17H23N3OS/c1-2-17-8-9-20-21(14-17)29-24-22(20)23(25-16-26-24)27-19-10-12-28(13-11-19)15-18-6-4-3-5-7-18;1-16-7-8-19-20(13-16)28-23-21(19)22(24-15-25-23)26-18-9-11-27(12-10-18)14-17-5-3-2-4-6-17;1-20(2)10-9-16-15(11-20)17-18(21-12-22-19(17)25-16)23-13-5-7-14(8-6-13)24(3)4;1-18(2)8-7-14-13(9-18)15-16(20-10-21-17(15)23-14)22-12-5-3-11(19)4-6-12;1-10-2-7-14-13(8-10)15-16(18-9-19-17(15)22-14)20-11-3-5-12(21)6-4-11;1-10-5-6-14-13(7-10)15-16(18-9-19-17(15)22-14)20-11-3-2-4-12(21)8-11/h3-7,16-17,19H,2,8-15H2,1H3,(H,25,26,27);2-6,15-16,18H,7-14H2,1H3,(H,24,25,26);12-14H,5-11H2,1-4H3,(H,21,22,23);10-12H,3-9,19H2,1-2H3,(H,20,21,22);2*9-12,21H,2-8H2,1H3,(H,18,19,20)/t;;;;10-,11?,12?;/m....1./s1.

What are the key properties of N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?

N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 2123.14 g/mol, XLogP of 25.62, 18 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-7-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 159823130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).