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

C126H145Cl2N17O6S — CID 160587499

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

2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine (PubChem CID 160587499) has the molecular formula C126H145Cl2N17O6S and a molecular weight of 2096.63 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine
• PubChem CID: 160587499
• Molecular Formula: C126H145Cl2N17O6S
• Molecular Weight: 2096.63 g/mol
• Exact Mass: 2094.07
• IUPAC Name: 2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine
• SMILES: CC(C)c1ccc(-c2ccccc2)nc1.CC(C)c1cnc(Cc2ccccc2Cl)cn1.CC(C)c1cncc(Cc2ccccc2Cl)n1.CNS(=O)(=O)c1ccc(-c2cc(C(C)C)ncc2C)cc1.COc1ccccc1-c1ccc(C(C)C)cn1.COc1ccccc1Cc1cnc(C(C)C)cn1.COc1ccccc1Cc1cncc(C(C)C)n1.COc1ccccc1Nc1cnc(C(C)C)cn1.[C-]#[N+]c1ccc(C(C)C)cn1
• InChI: InChI=1S/C16H20N2O2S.2C15H18N2O.C15H17NO.2C14H15ClN2.C14H17N3O.C14H15N.C9H10N2/c1-11(2)16-9-15(12(3)10-18-16)13-5-7-14(8-6-13)21(19,20)17-4;1-11(2)14-10-16-13(9-17-14)8-12-6-4-5-7-15(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)14-9-16-12(8-17-14)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)12-8-16-14(9-15-12)17-11-6-4-5-7-13(11)18-3;1-11(2)13-8-9-14(15-10-13)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;4-10H,1-3H3,(H,16,17);3-11H,1-2H3;4-7H,1-2H3
• InChIKey: RCOVKVCQENSLAE-UHFFFAOYSA-N
• XLogP: 31.04
• TPSA: 279.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.63
LogP ≤ 5	31.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine (CID 160587499) is 2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine.

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

The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine is CC(C)c1ccc(-c2ccccc2)nc1.CC(C)c1cnc(Cc2ccccc2Cl)cn1.CC(C)c1cncc(Cc2ccccc2Cl)n1.CNS(=O)(=O)c1ccc(-c2cc(C(C)C)ncc2C)cc1.COc1ccccc1-c1ccc(C(C)C)cn1.COc1ccccc1Cc1cnc(C(C)C)cn1.COc1ccccc1Cc1cncc(C(C)C)n1.COc1ccccc1Nc1cnc(C(C)C)cn1.[C-]#[N+]c1ccc(C(C)C)cn1.

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

The InChIKey is RCOVKVCQENSLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.2C15H18N2O.C15H17NO.2C14H15ClN2.C14H17N3O.C14H15N.C9H10N2/c1-11(2)16-9-15(12(3)10-18-16)13-5-7-14(8-6-13)21(19,20)17-4;1-11(2)14-10-16-13(9-17-14)8-12-6-4-5-7-15(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)14-9-16-12(8-17-14)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)12-8-16-14(9-15-12)17-11-6-4-5-7-13(11)18-3;1-11(2)13-8-9-14(15-10-13)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;4-10H,1-3H3,(H,16,17);3-11H,1-2H3;4-7H,1-2H3.

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

2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine has a molecular weight of 2096.63 g/mol, XLogP of 31.04, 28 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(5-methyl-2-propan-2-yl-4-pyridinyl)benzenesulfonamide;2-phenyl-5-propan-2-ylpyridine is sourced from PubChem (CID 160587499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).