2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine
C214H337BrN28O7 — CID 159464687
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine
SMILESCC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccccn1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1cccnc1Br.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nccc(OCC2CC2)n1.CC(C)(C)Cc1ncccn1.CC(CC(C)(C)C)n1cccn1.CCCCC(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.COc1ccnc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)nc1.Cc1conc1CC(C)(C)C.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.Cn1c(CCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C14H20N2.C14H20.C13H20N2O.C12H18N2.C12H19N.C12H18.C11H18N2O2.C11H18N2.C11H14N2.C11H17N.C11H16.C10H14BrN.C10H16N2O.C10H16N2.C10H18N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-10-6-5-7-11(13-10)8-9-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-9(12-7-8)5-10(2,3)4;1-9(8-10(2,3)4)12-7-5-6-11-12;1-9(2,3)7-8-10-5-4-6-11-8;1-7-6-11-10-8(7)5-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-5-6-7-8(2,3)4/h5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;4-8H,9-10H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6H,7H2,1-3H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3
InChIKeyLVALMJFRTPRTEZ-UHFFFAOYSA-N
MW3494.14 g/mol
LogP56.73
Rot. Bonds34
About 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine
2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine (PubChem CID 159464687) has the molecular formula C214H337BrN28O7 and a molecular weight of 3494.14 g/mol. Its IUPAC name is 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine.
Molecular Properties
| Compound Name | 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine |
|---|---|
| PubChem CID | 159464687 |
| Molecular Formula | C214H337BrN28O7 |
| Molecular Weight | 3494.14 g/mol |
| Exact Mass | 3490.61 |
| IUPAC Name | 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine |
| SMILES | CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccccn1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1cccnc1Br.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nccc(OCC2CC2)n1.CC(C)(C)Cc1ncccn1.CC(CC(C)(C)C)n1cccn1.CCCCC(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.COc1ccnc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)nc1.Cc1conc1CC(C)(C)C.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.Cn1c(CCC(C)(C)C)nc2ccccc21 |
| InChI | InChI=1S/C14H20N2.C14H20.C13H20N2O.C12H18N2.C12H19N.C12H18.C11H18N2O2.C11H18N2.C11H14N2.C11H17N.C11H16.C10H14BrN.C10H16N2O.C10H16N2.C10H18N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-10-6-5-7-11(13-10)8-9-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-9(12-7-8)5-10(2,3)4;1-9(8-10(2,3)4)12-7-5-6-11-12;1-9(2,3)7-8-10-5-4-6-11-8;1-7-6-11-10-8(7)5-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-5-6-7-8(2,3)4/h5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;4-8H,9-10H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6H,7H2,1-3H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3 |
| InChIKey | LVALMJFRTPRTEZ-UHFFFAOYSA-N |
| XLogP | 56.73 |
| TPSA | 432.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 250 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3494.14 |
| LogP ≤ 5 | 56.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine?
The IUPAC name of 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine (CID 159464687) is 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine.
What is the SMILES notation for 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine?
The canonical SMILES for 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine is CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccccn1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1cccnc1Br.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nccc(OCC2CC2)n1.CC(C)(C)Cc1ncccn1.CC(CC(C)(C)C)n1cccn1.CCCCC(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.COc1ccnc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)nc1.Cc1conc1CC(C)(C)C.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.Cn1c(CCC(C)(C)C)nc2ccccc21.
What is the InChIKey of 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine?
The InChIKey is LVALMJFRTPRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C14H20.C13H20N2O.C12H18N2.C12H19N.C12H18.C11H18N2O2.C11H18N2.C11H14N2.C11H17N.C11H16.C10H14BrN.C10H16N2O.C10H16N2.C10H18N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-10-6-5-7-11(13-10)8-9-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-9(12-7-8)5-10(2,3)4;1-9(8-10(2,3)4)12-7-5-6-11-12;1-9(2,3)7-8-10-5-4-6-11-8;1-7-6-11-10-8(7)5-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-5-6-7-8(2,3)4/h5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;4-8H,9-10H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6H,7H2,1-3H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3.
What are the key properties of 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine?
2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine has a molecular weight of 3494.14 g/mol, XLogP of 56.73, 34 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2,2-dimethylpropyl)pyridine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine is sourced from PubChem (CID 159464687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159464687 — identifiers, structure, computed properties (public domain)
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