3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C51H56Br2N12O6S3 — CID 159568582

IUPAC3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(CCc3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)cn2)cc1.Nc1cnc(Br)cn1
InChIInChI=1S/C21H23N3O2S.C13H14BrN3O2S.C13H15N3O2S.C4H4BrN3/c1-15(2)27(25,26)18-11-9-17(10-12-18)20-14-23-21(22)19(24-20)13-8-16-6-4-3-5-7-16;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;1-9(2)19(17,18)11-5-3-10(4-6-11)12-7-16-13(14)8-15-12;5-3-1-8-4(6)2-7-3/h3-7,9-12,14-15H,8,13H2,1-2H3,(H2,22,23);3-8H,1-2H3,(H2,15,16);3-9H,1-2H3,(H2,14,16);1-2H,(H2,6,8)
InChIKeyMHNDUQMAPFQZRJ-UHFFFAOYSA-N
MW1189.10 g/mol
LogP9.09
Rot. Bonds12

About 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 159568582) has the molecular formula C51H56Br2N12O6S3 and a molecular weight of 1189.10 g/mol. Its IUPAC name is 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID159568582
Molecular FormulaC51H56Br2N12O6S3
Molecular Weight1189.10 g/mol
Exact Mass1186.20
IUPAC Name3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(CCc3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)cn2)cc1.Nc1cnc(Br)cn1
InChIInChI=1S/C21H23N3O2S.C13H14BrN3O2S.C13H15N3O2S.C4H4BrN3/c1-15(2)27(25,26)18-11-9-17(10-12-18)20-14-23-21(22)19(24-20)13-8-16-6-4-3-5-7-16;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;1-9(2)19(17,18)11-5-3-10(4-6-11)12-7-16-13(14)8-15-12;5-3-1-8-4(6)2-7-3/h3-7,9-12,14-15H,8,13H2,1-2H3,(H2,22,23);3-8H,1-2H3,(H2,15,16);3-9H,1-2H3,(H2,14,16);1-2H,(H2,6,8)
InChIKeyMHNDUQMAPFQZRJ-UHFFFAOYSA-N
XLogP9.09
TPSA309.62 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.10
LogP ≤ 59.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 159568582) is 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(CCc3ccccc3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)cn2)cc1.Nc1cnc(Br)cn1.
What is the InChIKey of 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is MHNDUQMAPFQZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S.C13H14BrN3O2S.C13H15N3O2S.C4H4BrN3/c1-15(2)27(25,26)18-11-9-17(10-12-18)20-14-23-21(22)19(24-20)13-8-16-6-4-3-5-7-16;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;1-9(2)19(17,18)11-5-3-10(4-6-11)12-7-16-13(14)8-15-12;5-3-1-8-4(6)2-7-3/h3-7,9-12,14-15H,8,13H2,1-2H3,(H2,22,23);3-8H,1-2H3,(H2,15,16);3-9H,1-2H3,(H2,14,16);1-2H,(H2,6,8).
What are the key properties of 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 1189.10 g/mol, XLogP of 9.09, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 159568582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).