N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine

C85H100N14O8S4 — CID 157165223

IUPACN-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine
SMILESCc1cccc(CNc2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2C)c1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1N1CCC(N)C1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1N1CCN(c2ccccc2)CC1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NCc1ccccc1
InChIInChI=1S/C24H28N4O2S.C22H25N3O2S.C21H23N3O2S.C18H24N4O2S/c1-18(2)31(29,30)22-11-9-20(10-12-22)23-17-25-19(3)24(26-23)28-15-13-27(14-16-28)21-7-5-4-6-8-21;1-15(2)28(26,27)20-10-8-19(9-11-20)21-14-23-17(4)22(25-21)24-13-18-7-5-6-16(3)12-18;1-15(2)27(25,26)19-11-9-18(10-12-19)20-14-22-16(3)21(24-20)23-13-17-7-5-4-6-8-17;1-12(2)25(23,24)16-6-4-14(5-7-16)17-10-20-13(3)18(21-17)22-9-8-15(19)11-22/h4-12,17-18H,13-16H2,1-3H3;5-12,14-15H,13H2,1-4H3,(H,24,25);4-12,14-15H,13H2,1-3H3,(H,23,24);4-7,10,12,15H,8-9,11,19H2,1-3H3
InChIKeyAMVGRJOFJHNQKN-UHFFFAOYSA-N
MW1574.09 g/mol
LogP14.93
Rot. Bonds21

About N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine

N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine (PubChem CID 157165223) has the molecular formula C85H100N14O8S4 and a molecular weight of 1574.09 g/mol. Its IUPAC name is N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine
PubChem CID157165223
Molecular FormulaC85H100N14O8S4
Molecular Weight1574.09 g/mol
Exact Mass1572.67
IUPAC NameN-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine
SMILESCc1cccc(CNc2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2C)c1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1N1CCC(N)C1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1N1CCN(c2ccccc2)CC1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NCc1ccccc1
InChIInChI=1S/C24H28N4O2S.C22H25N3O2S.C21H23N3O2S.C18H24N4O2S/c1-18(2)31(29,30)22-11-9-20(10-12-22)23-17-25-19(3)24(26-23)28-15-13-27(14-16-28)21-7-5-4-6-8-21;1-15(2)28(26,27)20-10-8-19(9-11-20)21-14-23-17(4)22(25-21)24-13-18-7-5-6-16(3)12-18;1-15(2)27(25,26)19-11-9-18(10-12-19)20-14-22-16(3)21(24-20)23-13-17-7-5-4-6-8-17;1-12(2)25(23,24)16-6-4-14(5-7-16)17-10-20-13(3)18(21-17)22-9-8-15(19)11-22/h4-12,17-18H,13-16H2,1-3H3;5-12,14-15H,13H2,1-4H3,(H,24,25);4-12,14-15H,13H2,1-3H3,(H,23,24);4-7,10,12,15H,8-9,11,19H2,1-3H3
InChIKeyAMVGRJOFJHNQKN-UHFFFAOYSA-N
XLogP14.93
TPSA299.48 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001574.09
LogP ≤ 514.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine (CID 157165223) is N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine is Cc1cccc(CNc2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2C)c1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1N1CCC(N)C1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1N1CCN(c2ccccc2)CC1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine?
The InChIKey is AMVGRJOFJHNQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S.C22H25N3O2S.C21H23N3O2S.C18H24N4O2S/c1-18(2)31(29,30)22-11-9-20(10-12-22)23-17-25-19(3)24(26-23)28-15-13-27(14-16-28)21-7-5-4-6-8-21;1-15(2)28(26,27)20-10-8-19(9-11-20)21-14-23-17(4)22(25-21)24-13-18-7-5-6-16(3)12-18;1-15(2)27(25,26)19-11-9-18(10-12-19)20-14-22-16(3)21(24-20)23-13-17-7-5-4-6-8-17;1-12(2)25(23,24)16-6-4-14(5-7-16)17-10-20-13(3)18(21-17)22-9-8-15(19)11-22/h4-12,17-18H,13-16H2,1-3H3;5-12,14-15H,13H2,1-4H3,(H,24,25);4-12,14-15H,13H2,1-3H3,(H,23,24);4-7,10,12,15H,8-9,11,19H2,1-3H3.
What are the key properties of N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine?
N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine has a molecular weight of 1574.09 g/mol, XLogP of 14.93, 21 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-methyl-N-[(3-methylphenyl)methyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(4-phenylpiperazin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;1-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 157165223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).