2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide

C154H177Cl3N22O6S — CID 161374478

About 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide

2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 161374478) has the molecular formula C154H177Cl3N22O6S and a molecular weight of 2570.68 g/mol. Its IUPAC name is 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide
• PubChem CID: 161374478
• Molecular Formula: C154H177Cl3N22O6S
• Molecular Weight: 2570.68 g/mol
• Exact Mass: 2567.30
• IUPAC Name: 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide
• SMILES: CC(C)c1ccc(Cc2ccccc2Cl)nn1.CC(C)c1cnc(Cc2ccccc2)nc1.CC(C)c1cnc(Cc2ccccc2Cl)nc1.CC(C)c1cncc(Cc2ccccc2)n1.CC(C)c1cncc(Cc2ccccc2Cl)n1.CNS(=O)(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1-c1ccc(C(C)C)cn1.COc1ccccc1Cc1cncc(C(C)C)n1.COc1ccccc1Cc1ncc(C(C)C)cn1.COc1ccccc1Nc1cnc(C(C)C)cn1.[C-]#[N+]c1ccc(C(C)C)cn1
• InChI: InChI=1S/C16H20N2O2S.2C15H18N2O.C15H17NO.3C14H15ClN2.C14H17N3O.2C14H16N2.C9H10N2/c1-11(2)14-9-16(12(3)18-10-14)13-5-7-15(8-6-13)21(19,20)17-4;1-11(2)13-9-16-15(17-10-13)8-12-6-4-5-7-14(12)18-3;1-11(2)14-10-16-9-13(17-14)8-12-6-4-5-7-15(12)18-3;1-11(2)12-8-9-14(16-10-12)13-6-4-5-7-15(13)17-3;1-10(2)12-8-16-14(17-9-12)7-11-5-3-4-6-13(11)15;1-10(2)14-9-16-8-12(17-14)7-11-5-3-4-6-13(11)15;1-10(2)14-8-7-12(16-17-14)9-11-5-3-4-6-13(11)15;1-10(2)12-8-16-14(9-15-12)17-11-6-4-5-7-13(11)18-3;1-11(2)13-9-15-14(16-10-13)8-12-6-4-3-5-7-12;1-11(2)14-10-15-9-13(16-14)8-12-6-4-3-5-7-12;1-7(2)8-4-5-9(10-3)11-6-8/h5-11,17H,1-4H3;2*4-7,9-11H,8H2,1-3H3;4-11H,1-3H3;2*3-6,8-10H,7H2,1-2H3;3-8,10H,9H2,1-2H3;4-10H,1-3H3,(H,16,17);2*3-7,9-11H,8H2,1-2H3;4-7H,1-2H3
• InChIKey: VQWWNMUGXCXVOR-UHFFFAOYSA-N
• XLogP: 37.39
• TPSA: 344.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2570.68
LogP ≤ 5	37.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide?

The IUPAC name of 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide (CID 161374478) is 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide.

What is the SMILES notation for 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide?

The canonical SMILES for 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide is CC(C)c1ccc(Cc2ccccc2Cl)nn1.CC(C)c1cnc(Cc2ccccc2)nc1.CC(C)c1cnc(Cc2ccccc2Cl)nc1.CC(C)c1cncc(Cc2ccccc2)n1.CC(C)c1cncc(Cc2ccccc2Cl)n1.CNS(=O)(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1-c1ccc(C(C)C)cn1.COc1ccccc1Cc1cncc(C(C)C)n1.COc1ccccc1Cc1ncc(C(C)C)cn1.COc1ccccc1Nc1cnc(C(C)C)cn1.[C-]#[N+]c1ccc(C(C)C)cn1.

What is the InChIKey of 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide?

The InChIKey is VQWWNMUGXCXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.2C15H18N2O.C15H17NO.3C14H15ClN2.C14H17N3O.2C14H16N2.C9H10N2/c1-11(2)14-9-16(12(3)18-10-14)13-5-7-15(8-6-13)21(19,20)17-4;1-11(2)13-9-16-15(17-10-13)8-12-6-4-5-7-14(12)18-3;1-11(2)14-10-16-9-13(17-14)8-12-6-4-5-7-15(12)18-3;1-11(2)12-8-9-14(16-10-12)13-6-4-5-7-15(13)17-3;1-10(2)12-8-16-14(17-9-12)7-11-5-3-4-6-13(11)15;1-10(2)14-9-16-8-12(17-14)7-11-5-3-4-6-13(11)15;1-10(2)14-8-7-12(16-17-14)9-11-5-3-4-6-13(11)15;1-10(2)12-8-16-14(9-15-12)17-11-6-4-5-7-13(11)18-3;1-11(2)13-9-15-14(16-10-13)8-12-6-4-3-5-7-12;1-11(2)14-10-15-9-13(16-14)8-12-6-4-3-5-7-12;1-7(2)8-4-5-9(10-3)11-6-8/h5-11,17H,1-4H3;2*4-7,9-11H,8H2,1-3H3;4-11H,1-3H3;2*3-6,8-10H,7H2,1-2H3;3-8,10H,9H2,1-2H3;4-10H,1-3H3,(H,16,17);2*3-7,9-11H,8H2,1-2H3;4-7H,1-2H3.

What are the key properties of 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide?

2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 2570.68 g/mol, XLogP of 37.39, 35 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-6-propan-2-ylpyrazine;2-benzyl-5-propan-2-ylpyrimidine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 161374478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).