N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride

C77H96Cl6F6N32O15S6 — CID 165104110

About N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride

N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride (PubChem CID 165104110) has the molecular formula C77H96Cl6F6N32O15S6 and a molecular weight of 2244.02 g/mol. Its IUPAC name is N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride
• PubChem CID: 165104110
• Molecular Formula: C77H96Cl6F6N32O15S6
• Molecular Weight: 2244.02 g/mol
• Exact Mass: 2239.50
• IUPAC Name: N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride
• SMILES: CCC(=O)c1ccc(N)cc1.CN(c1nccnc1CN)S(C)(=O)=O.CNC(=O)c1ccc(Nc2ncc(C)c(Cl)n2)cc1.CS(=O)(=O)Cl.Cl.FC(F)(F)c1cnc(Cl)nc1Cl.N#Cc1nccnc1Cl.[2H]C([2H])([2H])N.[2H]C([2H])([2H])N(c1nccnc1C#N)S(C)(=O)=O.[2H]C([2H])([2H])N(c1nccnc1CN)S(C)(=O)=O.[2H]C([2H])([2H])N(c1nccnc1CNc1nc(Nc2ccc(C(=O)NC)cc2)ncc1C(F)(F)F)S(C)(=O)=O.[2H]C([2H])([2H])NS(C)(=O)=O
• InChI: InChI=1S/C20H21F3N8O3S.C13H13ClN4O.C9H11NO.2C7H12N4O2S.C7H8N4O2S.C5HCl2F3N2.C5H2ClN3.C2H7NO2S.CH3ClO2S.CH5N.ClH/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34;1-8-7-16-13(18-11(8)14)17-10-5-3-9(4-6-10)12(19)15-2;1-2-9(11)7-3-5-8(10)6-4-7;3*1-11(14(2,12)13)7-6(5-8)9-3-4-10-7;6-3-2(5(8,9)10)1-11-4(7)12-3;6-5-4(3-7)8-1-2-9-5;1-3-6(2,4)5;1-5(2,3)4;1-2;/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30);3-7H,1-2H3,(H,15,19)(H,16,17,18);3-6H,2,10H2,1H3;2*3-4H,5,8H2,1-2H3;3-4H,1-2H3;1H;1-2H;3H,1-2H3;1H3;2H2,1H3;1H/i2D3;;;1D3;;1D3;;;1D3;;1D3
• InChIKey: MVUZJEHYUGCISL-DVPSKTGZSA-N
• XLogP: 8.36
• TPSA: 699.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.02
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride?

The IUPAC name of N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride (CID 165104110) is N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride.

What is the SMILES notation for N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride?

The canonical SMILES for N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride is CCC(=O)c1ccc(N)cc1.CN(c1nccnc1CN)S(C)(=O)=O.CNC(=O)c1ccc(Nc2ncc(C)c(Cl)n2)cc1.CS(=O)(=O)Cl.Cl.FC(F)(F)c1cnc(Cl)nc1Cl.N#Cc1nccnc1Cl.[2H]C([2H])([2H])N.[2H]C([2H])([2H])N(c1nccnc1C#N)S(C)(=O)=O.[2H]C([2H])([2H])N(c1nccnc1CN)S(C)(=O)=O.[2H]C([2H])([2H])N(c1nccnc1CNc1nc(Nc2ccc(C(=O)NC)cc2)ncc1C(F)(F)F)S(C)(=O)=O.[2H]C([2H])([2H])NS(C)(=O)=O.

What is the InChIKey of N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride?

The InChIKey is MVUZJEHYUGCISL-DVPSKTGZSA-N. The full InChI is InChI=1S/C20H21F3N8O3S.C13H13ClN4O.C9H11NO.2C7H12N4O2S.C7H8N4O2S.C5HCl2F3N2.C5H2ClN3.C2H7NO2S.CH3ClO2S.CH5N.ClH/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34;1-8-7-16-13(18-11(8)14)17-10-5-3-9(4-6-10)12(19)15-2;1-2-9(11)7-3-5-8(10)6-4-7;3*1-11(14(2,12)13)7-6(5-8)9-3-4-10-7;6-3-2(5(8,9)10)1-11-4(7)12-3;6-5-4(3-7)8-1-2-9-5;1-3-6(2,4)5;1-5(2,3)4;1-2;/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30);3-7H,1-2H3,(H,15,19)(H,16,17,18);3-6H,2,10H2,1H3;2*3-4H,5,8H2,1-2H3;3-4H,1-2H3;1H;1-2H;3H,1-2H3;1H3;2H2,1H3;1H/i2D3;;;1D3;;1D3;;;1D3;;1D3;.

What are the key properties of N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride?

N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride has a molecular weight of 2244.02 g/mol, XLogP of 8.36, 26 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 165104110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).