2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine

C212H329ClF2N22O2S3 — CID 159773275

About 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine

2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine (PubChem CID 159773275) has the molecular formula C212H329ClF2N22O2S3 and a molecular weight of 3387.77 g/mol. Its IUPAC name is 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine.

Molecular Properties

• Compound Name: 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine
• PubChem CID: 159773275
• Molecular Formula: C212H329ClF2N22O2S3
• Molecular Weight: 3387.77 g/mol
• Exact Mass: 3384.51
• IUPAC Name: 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine
• SMILES: CC(C)(C)CCN1CCCC1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1O.CC(C)(C)c1cncc(-n2cccc2)n1.CC(C)(C)c1cncc(-n2ccccc2=O)n1.CC(C)(C)c1cncc(Cl)n1.CC(C)(C)c1cncc(N2CCCC2)n1.CC(C)(C)c1cncc(N2CCCCC2)n1.CC(C)(C)c1cnccn1.CC(C)(C)c1cscn1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1nc(C(C)(C)C)cs1.CCc1ccccc1C(C)(C)C.CN1CCC(C(C)(C)C)CC1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1nc(C(C)(C)C)cs1
• InChI: InChI=1S/C13H15N3O.C13H21N3.C13H20.C12H19N3.C12H15N3.C12H25N.2C12H18.2C11H16.2C10H13F.C10H17NS.2C10H21N.C10H14O.C8H11ClN2.C8H12N2.C8H13NS.C7H11NS/c1-13(2,3)10-8-14-9-11(15-10)16-7-5-4-6-12(16)17;1-13(2,3)11-9-14-10-12(15-11)16-7-5-4-6-8-16;1-10(2)11-8-6-7-9-12(11)13(3,4)5;2*1-12(2,3)10-8-13-9-11(14-10)15-6-4-5-7-15;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-9-6-10(2)8-11(7-9)12(3,4)5;1-5-10-8-6-7-9-11(10)12(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-7(2)9-11-8(6-12-9)10(3,4)5;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2,3)6-4-10-5-7(9)11-6;1-8(2,3)7-6-9-4-5-10-7;1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-9-5-8-6/h4-9H,1-3H3;9-10H,4-8H2,1-3H3;6-10H,1-5H3;8-9H,4-7H2,1-3H3;4-9H,1-3H3;10-11H,6-9H2,1-5H3;6-8H,1-5H3;6-9H,5H2,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;6-7H,1-5H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;4-7,11H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3
• InChIKey: NGJZKTLBBIIIRB-UHFFFAOYSA-N
• XLogP: 57.41
• TPSA: 256.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 10
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3387.77
LogP ≤ 5	57.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine?

The IUPAC name of 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine (CID 159773275) is 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine.

What is the SMILES notation for 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine?

The canonical SMILES for 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine is CC(C)(C)CCN1CCCC1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1O.CC(C)(C)c1cncc(-n2cccc2)n1.CC(C)(C)c1cncc(-n2ccccc2=O)n1.CC(C)(C)c1cncc(Cl)n1.CC(C)(C)c1cncc(N2CCCC2)n1.CC(C)(C)c1cncc(N2CCCCC2)n1.CC(C)(C)c1cnccn1.CC(C)(C)c1cscn1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1nc(C(C)(C)C)cs1.CCc1ccccc1C(C)(C)C.CN1CCC(C(C)(C)C)CC1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1nc(C(C)(C)C)cs1.

What is the InChIKey of 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine?

The InChIKey is NGJZKTLBBIIIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.C13H21N3.C13H20.C12H19N3.C12H15N3.C12H25N.2C12H18.2C11H16.2C10H13F.C10H17NS.2C10H21N.C10H14O.C8H11ClN2.C8H12N2.C8H13NS.C7H11NS/c1-13(2,3)10-8-14-9-11(15-10)16-7-5-4-6-12(16)17;1-13(2,3)11-9-14-10-12(15-11)16-7-5-4-6-8-16;1-10(2)11-8-6-7-9-12(11)13(3,4)5;2*1-12(2,3)10-8-13-9-11(14-10)15-6-4-5-7-15;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-9-6-10(2)8-11(7-9)12(3,4)5;1-5-10-8-6-7-9-11(10)12(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-7(2)9-11-8(6-12-9)10(3,4)5;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2,3)6-4-10-5-7(9)11-6;1-8(2,3)7-6-9-4-5-10-7;1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-9-5-8-6/h4-9H,1-3H3;9-10H,4-8H2,1-3H3;6-10H,1-5H3;8-9H,4-7H2,1-3H3;4-9H,1-3H3;10-11H,6-9H2,1-5H3;6-8H,1-5H3;6-9H,5H2,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;6-7H,1-5H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;4-7,11H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3.

What are the key properties of 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine?

2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine has a molecular weight of 3387.77 g/mol, XLogP of 57.41, 10 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-chloropyrazine;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylphenol;2-tert-butyl-6-piperidin-1-ylpyrazine;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butylpyrazine;1-(6-tert-butylpyrazin-2-yl)pyridin-2-one;2-tert-butyl-6-pyrrolidin-1-ylpyrazine;2-tert-butyl-6-pyrrol-1-ylpyrazine;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)pyrrolidine is sourced from PubChem (CID 159773275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).