3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine

C103H126Br2N18O18S5Si2 — CID 159615526

IUPAC3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine
SMILESC#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N.C#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CC(C)S(=O)(=O)c1ccc(-c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C#C[Si](C)(C)C)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C#C[Si](C)(C)C)n2)cc1.Nc1cnc(Br)cn1
InChIInChI=1S/C28H39N3O6SSi.C25H31N3O6S.C18H23N3O2SSi.C15H15N3O2S.C13H14BrN3O2S.C4H4BrN3/c1-19(2)38(34,35)21-14-12-20(13-15-21)23-18-29-24(22(30-23)16-17-39(9,10)11)31(25(32)36-27(3,4)5)26(33)37-28(6,7)8;1-10-19-21(28(22(29)33-24(4,5)6)23(30)34-25(7,8)9)26-15-20(27-19)17-11-13-18(14-12-17)35(31,32)16(2)3;1-13(2)24(22,23)15-8-6-14(7-9-15)17-12-20-18(19)16(21-17)10-11-25(3,4)5;1-4-13-15(16)17-9-14(18-13)11-5-7-12(8-6-11)21(19,20)10(2)3;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;5-3-1-8-4(6)2-7-3/h12-15,18-19H,1-11H3;1,11-16H,2-9H3;6-9,12-13H,1-5H3,(H2,19,20);1,5-10H,2-3H3,(H2,16,17);3-8H,1-2H3,(H2,15,16);1-2H,(H2,6,8)
InChIKeyMNFUSPGCLGZTLY-UHFFFAOYSA-N
MW2280.56 g/mol
LogP19.73
Rot. Bonds17

About 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine

3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine (PubChem CID 159615526) has the molecular formula C103H126Br2N18O18S5Si2 and a molecular weight of 2280.56 g/mol. Its IUPAC name is 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine
PubChem CID159615526
Molecular FormulaC103H126Br2N18O18S5Si2
Molecular Weight2280.56 g/mol
Exact Mass2276.60
IUPAC Name3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine
SMILESC#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N.C#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CC(C)S(=O)(=O)c1ccc(-c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C#C[Si](C)(C)C)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C#C[Si](C)(C)C)n2)cc1.Nc1cnc(Br)cn1
InChIInChI=1S/C28H39N3O6SSi.C25H31N3O6S.C18H23N3O2SSi.C15H15N3O2S.C13H14BrN3O2S.C4H4BrN3/c1-19(2)38(34,35)21-14-12-20(13-15-21)23-18-29-24(22(30-23)16-17-39(9,10)11)31(25(32)36-27(3,4)5)26(33)37-28(6,7)8;1-10-19-21(28(22(29)33-24(4,5)6)23(30)34-25(7,8)9)26-15-20(27-19)17-11-13-18(14-12-17)35(31,32)16(2)3;1-13(2)24(22,23)15-8-6-14(7-9-15)17-12-20-18(19)16(21-17)10-11-25(3,4)5;1-4-13-15(16)17-9-14(18-13)11-5-7-12(8-6-11)21(19,20)10(2)3;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;5-3-1-8-4(6)2-7-3/h12-15,18-19H,1-11H3;1,11-16H,2-9H3;6-9,12-13H,1-5H3,(H2,19,20);1,5-10H,2-3H3,(H2,16,17);3-8H,1-2H3,(H2,15,16);1-2H,(H2,6,8)
InChIKeyMNFUSPGCLGZTLY-UHFFFAOYSA-N
XLogP19.73
TPSA541.14 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds17
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002280.56
LogP ≤ 519.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(3-ethynyl-5-phenylpyrazin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59471888
[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 86680732
3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 160574852
tert-butyl N-[3-[3-[4-(1-aminoethylideneamino)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 176600065
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
tert-butyl N-[3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 67425731
3-[2-(2-fluorophenyl)ethynyl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 54671226
tert-butyl N-[3-[3-[4-(aminomethyl)-3-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175862429
tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-N-(trideuteriomethyl)carbamate
CID 89477890
tert-butyl N-[5-(4-ethylsulfonylpiperazin-1-yl)-3-ethynylpyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 86662075
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-piperazin-1-yl-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate
CID 66744546
tert-butyl N-[[4-[[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]carbamoyl]phenyl]methyl]carbamate
CID 59471855

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine (CID 159615526) is 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine is C#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N.C#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CC(C)S(=O)(=O)c1ccc(-c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C#C[Si](C)(C)C)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C#C[Si](C)(C)C)n2)cc1.Nc1cnc(Br)cn1.
What is the InChIKey of 3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine?
The InChIKey is MNFUSPGCLGZTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O6SSi.C25H31N3O6S.C18H23N3O2SSi.C15H15N3O2S.C13H14BrN3O2S.C4H4BrN3/c1-19(2)38(34,35)21-14-12-20(13-15-21)23-18-29-24(22(30-23)16-17-39(9,10)11)31(25(32)36-27(3,4)5)26(33)37-28(6,7)8;1-10-19-21(28(22(29)33-24(4,5)6)23(30)34-25(7,8)9)26-15-20(27-19)17-11-13-18(14-12-17)35(31,32)16(2)3;1-13(2)24(22,23)15-8-6-14(7-9-15)17-12-20-18(19)16(21-17)10-11-25(3,4)5;1-4-13-15(16)17-9-14(18-13)11-5-7-12(8-6-11)21(19,20)10(2)3;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;5-3-1-8-4(6)2-7-3/h12-15,18-19H,1-11H3;1,11-16H,2-9H3;6-9,12-13H,1-5H3,(H2,19,20);1,5-10H,2-3H3,(H2,16,17);3-8H,1-2H3,(H2,15,16);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;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine?
3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine has a molecular weight of 2280.56 g/mol, XLogP of 19.73, 17 rotatable bonds, 4 hydrogen bond donors, and 34 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;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine is sourced from PubChem (CID 159615526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).