3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine

C40H59Cl3N12S2 — CID 161119621

IUPAC3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCN(c1cnc(Sc2cccc(N)c2Cl)c(N)n1)C1CC(C)(C)NC(C)(C)C1.CNC1CC(C)(C)NC(C)(C)C1.Nc1cccc(Sc2ncc(Cl)nc2N)c1Cl
InChIInChI=1S/C20H29ClN6S.C10H8Cl2N4S.C10H22N2/c1-19(2)9-12(10-20(3,4)26-19)27(5)15-11-24-18(17(23)25-15)28-14-8-6-7-13(22)16(14)21;11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12;1-9(2)6-8(11-5)7-10(3,4)12-9/h6-8,11-12,26H,9-10,22H2,1-5H3,(H2,23,25);1-4H,13H2,(H2,14,16);8,11-12H,6-7H2,1-5H3
InChIKeyUKTVPXXFKFVMMH-UHFFFAOYSA-N
MW878.49 g/mol
LogP8.81
Rot. Bonds7

About 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine

3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine (PubChem CID 161119621) has the molecular formula C40H59Cl3N12S2 and a molecular weight of 878.49 g/mol. Its IUPAC name is 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine.

Molecular Properties

Compound Name3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine
PubChem CID161119621
Molecular FormulaC40H59Cl3N12S2
Molecular Weight878.49 g/mol
Exact Mass876.35
IUPAC Name3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCN(c1cnc(Sc2cccc(N)c2Cl)c(N)n1)C1CC(C)(C)NC(C)(C)C1.CNC1CC(C)(C)NC(C)(C)C1.Nc1cccc(Sc2ncc(Cl)nc2N)c1Cl
InChIInChI=1S/C20H29ClN6S.C10H8Cl2N4S.C10H22N2/c1-19(2)9-12(10-20(3,4)26-19)27(5)15-11-24-18(17(23)25-15)28-14-8-6-7-13(22)16(14)21;11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12;1-9(2)6-8(11-5)7-10(3,4)12-9/h6-8,11-12,26H,9-10,22H2,1-5H3,(H2,23,25);1-4H,13H2,(H2,14,16);8,11-12H,6-7H2,1-5H3
InChIKeyUKTVPXXFKFVMMH-UHFFFAOYSA-N
XLogP8.81
TPSA194.97 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500878.49
LogP ≤ 58.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10301278, Example 3
CID 118239524
US10301278, Example 20
CID 118248948
1-[5-(3-Amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine
CID 124146321
US10301278, Example 11
CID 118239438
US10336774, Example 15
CID 118247732
3-(3-Amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine
CID 158031069
6-[4-Amino-4-(fluoromethyl)piperidin-1-yl]-3-[2-chloro-3-(methylamino)phenyl]sulfanylpyrazin-2-amine
CID 145418519
3-(3-Amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine
CID 118239429
(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247931
7-[6-Amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123426884
8-[6-Amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123920773
3-[5-[4-(Aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline
CID 124146221

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine?
The IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine (CID 161119621) is 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine.
What is the SMILES notation for 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine?
The canonical SMILES for 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine is CN(c1cnc(Sc2cccc(N)c2Cl)c(N)n1)C1CC(C)(C)NC(C)(C)C1.CNC1CC(C)(C)NC(C)(C)C1.Nc1cccc(Sc2ncc(Cl)nc2N)c1Cl.
What is the InChIKey of 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine?
The InChIKey is UKTVPXXFKFVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN6S.C10H8Cl2N4S.C10H22N2/c1-19(2)9-12(10-20(3,4)26-19)27(5)15-11-24-18(17(23)25-15)28-14-8-6-7-13(22)16(14)21;11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12;1-9(2)6-8(11-5)7-10(3,4)12-9/h6-8,11-12,26H,9-10,22H2,1-5H3,(H2,23,25);1-4H,13H2,(H2,14,16);8,11-12H,6-7H2,1-5H3.
What are the key properties of 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine?
3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine has a molecular weight of 878.49 g/mol, XLogP of 8.81, 7 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine is sourced from PubChem (CID 161119621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).