4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

C140H193N23O3S5 — CID 158756581

About 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 158756581) has the molecular formula C140H193N23O3S5 and a molecular weight of 2406.58 g/mol. Its IUPAC name is 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
• PubChem CID: 158756581
• Molecular Formula: C140H193N23O3S5
• Molecular Weight: 2406.58 g/mol
• Exact Mass: 2404.43
• IUPAC Name: 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
• SMILES: CC1(C)CCc2sc3ncnc(N4CCC(C(N)=O)CC4)c3c2C1.CC1(C)CCc2sc3ncnc(NC4CCC(O)CC4)c3c2C1.CCC1CCC2=C(Cc3ncnc(CC4CCC(C)CC4)c32)C1.CCC1CCC2=C(Cc3ncnc(CC4CCC(Cc5ccccc5)CC4)c32)C1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)CC(C)(C)CC4)CC1.CNC1CCC(Nc2ncnc3sc4c(c23)CC(C)(C)CC4)CC1.C[C@@H]1CCc2sc3ncnc(N4CCC(C(N)=O)CC4)c3c2C1
• InChI: InChI=1S/C27H34N2.C21H30N2.C20H30N4S.C19H28N4S.C18H24N4OS.C18H25N3OS.C17H22N4OS/c1-2-19-12-13-24-23(15-19)17-26-27(24)25(28-18-29-26)16-22-10-8-21(9-11-22)14-20-6-4-3-5-7-20;1-3-15-8-9-18-17(10-15)12-20-21(18)19(22-13-23-20)11-16-6-4-14(2)5-7-16;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;1-19(2)9-8-15-14(10-19)16-17(21-11-22-18(16)24-15)23-13-6-4-12(20-3)5-7-13;1-18(2)6-3-13-12(9-18)14-16(20-10-21-17(14)24-13)22-7-4-11(5-8-22)15(19)23;1-18(2)8-7-14-13(9-18)15-16(19-10-20-17(15)23-14)21-11-3-5-12(22)6-4-11;1-10-2-3-13-12(8-10)14-16(19-9-20-17(14)23-13)21-6-4-11(5-7-21)15(18)22/h3-7,18-19,21-22H,2,8-17H2,1H3;13-16H,3-12H2,1-2H3;12-14H,5-11H2,1-4H3,(H,21,22,23);11-13,20H,4-10H2,1-3H3,(H,21,22,23);10-11H,3-9H2,1-2H3,(H2,19,23);10-12,22H,3-9H2,1-2H3,(H,19,20,21);9-11H,2-8H2,1H3,(H2,18,22)/t;;;;;;10-/m......1/s1
• InChIKey: IODNWUCBMMPWPM-OGXCBHPLSA-N
• XLogP: 29.94
• TPSA: 344.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.58
LogP ≤ 5	29.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?

The IUPAC name of 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 158756581) is 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?

The canonical SMILES for 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is CC1(C)CCc2sc3ncnc(N4CCC(C(N)=O)CC4)c3c2C1.CC1(C)CCc2sc3ncnc(NC4CCC(O)CC4)c3c2C1.CCC1CCC2=C(Cc3ncnc(CC4CCC(C)CC4)c32)C1.CCC1CCC2=C(Cc3ncnc(CC4CCC(Cc5ccccc5)CC4)c32)C1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)CC(C)(C)CC4)CC1.CNC1CCC(Nc2ncnc3sc4c(c23)CC(C)(C)CC4)CC1.C[C@@H]1CCc2sc3ncnc(N4CCC(C(N)=O)CC4)c3c2C1.

What is the InChIKey of 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?

The InChIKey is IODNWUCBMMPWPM-OGXCBHPLSA-N. The full InChI is InChI=1S/C27H34N2.C21H30N2.C20H30N4S.C19H28N4S.C18H24N4OS.C18H25N3OS.C17H22N4OS/c1-2-19-12-13-24-23(15-19)17-26-27(24)25(28-18-29-26)16-22-10-8-21(9-11-22)14-20-6-4-3-5-7-20;1-3-15-8-9-18-17(10-15)12-20-21(18)19(22-13-23-20)11-16-6-4-14(2)5-7-16;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;1-19(2)9-8-15-14(10-19)16-17(21-11-22-18(16)24-15)23-13-6-4-12(20-3)5-7-13;1-18(2)6-3-13-12(9-18)14-16(20-10-21-17(14)24-13)22-7-4-11(5-8-22)15(19)23;1-18(2)8-7-14-13(9-18)15-16(19-10-20-17(15)23-14)21-11-3-5-12(22)6-4-11;1-10-2-3-13-12(8-10)14-16(19-9-20-17(14)23-13)21-6-4-11(5-7-21)15(18)22/h3-7,18-19,21-22H,2,8-17H2,1H3;13-16H,3-12H2,1-2H3;12-14H,5-11H2,1-4H3,(H,21,22,23);11-13,20H,4-10H2,1-3H3,(H,21,22,23);10-11H,3-9H2,1-2H3,(H2,19,23);10-12,22H,3-9H2,1-2H3,(H,19,20,21);9-11H,2-8H2,1H3,(H2,18,22)/t;;;;;;10-/m......1/s1.

What are the key properties of 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?

4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 2406.58 g/mol, XLogP of 29.94, 20 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-benzylcyclohexyl)methyl]-7-ethyl-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;4-[(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;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;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine;1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;7-ethyl-4-[(4-methylcyclohexyl)methyl]-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 158756581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).