4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene

C115H165ClN10O7 — CID 159010435

About 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene

4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene (PubChem CID 159010435) has the molecular formula C115H165ClN10O7 and a molecular weight of 1835.10 g/mol. Its IUPAC name is 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene.

Molecular Properties

• Compound Name: 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene
• PubChem CID: 159010435
• Molecular Formula: C115H165ClN10O7
• Molecular Weight: 1835.10 g/mol
• Exact Mass: 1833.26
• IUPAC Name: 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene
• SMILES: CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)c1nc(N2CCOCC2)ncc1Cl.CC(C)COC(C)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(C)(C)C.CC(Oc1ccccc1C#N)C(C)(C)C.CCn1nnc2cc(C(C)(C)C)ccc21.COc1ccc2c(ccn2CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1
• InChI: InChI=1S/C17H21NO.C14H19NO.2C13H17NO.C12H18ClN3O.C12H17N3.C12H16O.C12H18.C10H22O/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-14(2,3)10-15-8-7-11-9-12(16-4)5-6-13(11)15;1-10(13(2,3)4)15-12-7-5-6-11(8-12)9-14;1-10(13(2,3)4)15-12-8-6-5-7-11(12)9-14;1-12(2,3)10-9(13)8-14-11(15-10)16-4-6-17-7-5-16;1-5-15-11-7-6-9(12(2,3)4)8-10(11)13-14-15;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-8(2)7-11-9(3)10(4,5)6/h5-13H,1-4H3;5-9H,10H2,1-4H3;2*5-8,10H,1-4H3;8H,4-7H2,1-3H3;6-8H,5H2,1-4H3;4-7,11H,8H2,1-3H3;5-8H,9H2,1-4H3;8-9H,7H2,1-6H3
• InChIKey: JSKNZPPDBNGEBA-UHFFFAOYSA-N
• XLogP: 29.68
• TPSA: 189.74 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1835.10
LogP ≤ 5	29.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene?

The IUPAC name of 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene (CID 159010435) is 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene.

What is the SMILES notation for 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene?

The canonical SMILES for 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene is CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)c1nc(N2CCOCC2)ncc1Cl.CC(C)COC(C)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(C)(C)C.CC(Oc1ccccc1C#N)C(C)(C)C.CCn1nnc2cc(C(C)(C)C)ccc21.COc1ccc2c(ccn2CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1.

What is the InChIKey of 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene?

The InChIKey is JSKNZPPDBNGEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C14H19NO.2C13H17NO.C12H18ClN3O.C12H17N3.C12H16O.C12H18.C10H22O/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-14(2,3)10-15-8-7-11-9-12(16-4)5-6-13(11)15;1-10(13(2,3)4)15-12-7-5-6-11(8-12)9-14;1-10(13(2,3)4)15-12-8-6-5-7-11(12)9-14;1-12(2,3)10-9(13)8-14-11(15-10)16-4-6-17-7-5-16;1-5-15-11-7-6-9(12(2,3)4)8-10(11)13-14-15;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-8(2)7-11-9(3)10(4,5)6/h5-13H,1-4H3;5-9H,10H2,1-4H3;2*5-8,10H,1-4H3;8H,4-7H2,1-3H3;6-8H,5H2,1-4H3;4-7,11H,8H2,1-3H3;5-8H,9H2,1-4H3;8-9H,7H2,1-6H3.

What are the key properties of 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene?

4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene has a molecular weight of 1835.10 g/mol, XLogP of 29.68, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene is sourced from PubChem (CID 159010435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).