4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone

C135H174N22O12S — CID 158985155

About 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone

4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone (PubChem CID 158985155) has the molecular formula C135H174N22O12S and a molecular weight of 2329.09 g/mol. Its IUPAC name is 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone.

Molecular Properties

• Compound Name: 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone
• PubChem CID: 158985155
• Molecular Formula: C135H174N22O12S
• Molecular Weight: 2329.09 g/mol
• Exact Mass: 2327.34
• IUPAC Name: 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone
• SMILES: C=C(CCNS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1)OC(C)(C)C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CC)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CC)cc2C)ncn1.CCc1ccc(CC(=O)c2cc(N(CCOC)CC3CC3)ncn2)cc1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.COCCN(c1cc(C(=O)Cc2ccc3[nH]ccc3c2)ncn1)C(C)C
• InChI: InChI=1S/C31H44N4O4S.C22H29N3O.C21H27N3O2.C21H27N3O.C20H23N5O2.C20H24N4O2/c1-22-17-27(40(37,38)34-16-15-23(2)39-31(3,4)5)14-13-25(22)18-29(36)28-19-30(33-21-32-28)35(20-24-11-12-24)26-9-7-6-8-10-26;1-4-10-25(14-18-6-7-18)22-13-20(23-15-24-22)21(26)12-19-9-8-17(5-2)11-16(19)3;1-3-16-4-6-17(7-5-16)12-20(25)19-13-21(23-15-22-19)24(10-11-26-2)14-18-8-9-18;1-3-11-24(14-18-9-10-18)21-13-19(22-15-23-21)20(25)12-17-7-5-16(4-2)6-8-17;1-27-9-8-25(12-14-2-3-14)19-11-18(22-13-23-19)20(26)24-16-4-5-17-15(10-16)6-7-21-17;1-14(2)24(8-9-26-3)20-12-18(22-13-23-20)19(25)11-15-4-5-17-16(10-15)6-7-21-17/h13-14,17,19,21,24,26,34H,2,6-12,15-16,18,20H2,1,3-5H3;8-9,11,13,15,18H,4-7,10,12,14H2,1-3H3;4-7,13,15,18H,3,8-12,14H2,1-2H3;5-8,13,15,18H,3-4,9-12,14H2,1-2H3;4-7,10-11,13-14,21H,2-3,8-9,12H2,1H3,(H,24,26);4-7,10,12-14,21H,8-9,11H2,1-3H3
• InChIKey: JPMDRPYVHTZUNJ-UHFFFAOYSA-N
• XLogP: 23.89
• TPSA: 403.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 57
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2329.09
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone?

The IUPAC name of 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone (CID 158985155) is 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone.

What is the SMILES notation for 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone?

The canonical SMILES for 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone is C=C(CCNS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1)OC(C)(C)C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CC)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CC)cc2C)ncn1.CCc1ccc(CC(=O)c2cc(N(CCOC)CC3CC3)ncn2)cc1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.COCCN(c1cc(C(=O)Cc2ccc3[nH]ccc3c2)ncn1)C(C)C.

What is the InChIKey of 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone?

The InChIKey is JPMDRPYVHTZUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O4S.C22H29N3O.C21H27N3O2.C21H27N3O.C20H23N5O2.C20H24N4O2/c1-22-17-27(40(37,38)34-16-15-23(2)39-31(3,4)5)14-13-25(22)18-29(36)28-19-30(33-21-32-28)35(20-24-11-12-24)26-9-7-6-8-10-26;1-4-10-25(14-18-6-7-18)22-13-20(23-15-24-22)21(26)12-19-9-8-17(5-2)11-16(19)3;1-3-16-4-6-17(7-5-16)12-20(25)19-13-21(23-15-22-19)24(10-11-26-2)14-18-8-9-18;1-3-11-24(14-18-9-10-18)21-13-19(22-15-23-21)20(25)12-17-7-5-16(4-2)6-8-17;1-27-9-8-25(12-14-2-3-14)19-11-18(22-13-23-19)20(26)24-16-4-5-17-15(10-16)6-7-21-17;1-14(2)24(8-9-26-3)20-12-18(22-13-23-20)19(25)11-15-4-5-17-16(10-15)6-7-21-17/h13-14,17,19,21,24,26,34H,2,6-12,15-16,18,20H2,1,3-5H3;8-9,11,13,15,18H,4-7,10,12,14H2,1-3H3;4-7,13,15,18H,3,8-12,14H2,1-2H3;5-8,13,15,18H,3-4,9-12,14H2,1-2H3;4-7,10-11,13-14,21H,2-3,8-9,12H2,1H3,(H,24,26);4-7,10,12-14,21H,8-9,11H2,1-3H3.

What are the key properties of 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone?

4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone has a molecular weight of 2329.09 g/mol, XLogP of 23.89, 57 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 158985155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).