potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide

C56H60Cl3KN24O5S2 — CID 159454357

About potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide

potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide (PubChem CID 159454357) has the molecular formula C56H60Cl3KN24O5S2 and a molecular weight of 1358.85 g/mol. Its IUPAC name is potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide.

Molecular Properties

• Compound Name: potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide
• PubChem CID: 159454357
• Molecular Formula: C56H60Cl3KN24O5S2
• Molecular Weight: 1358.85 g/mol
• Exact Mass: 1356.33
• IUPAC Name: potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide
• SMILES: C.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N=C(N)C=CN)nc(Cl)nc32)cc1.Nc1ccn[nH]1.[H]/N=C/c1ccc(N)cc1N.[H]/N=C/c1ccc(Nc2nc(/N=C(/N)C=CN)c3cc[nH]c3n2)cc1N.[K+].[OH-]
• InChI: InChI=1S/C16H15ClN6O2S.C16H17N9.C13H9Cl2N3O2S.C7H9N3.C3H5N3.CH4.K.H2O/c1-10-2-4-11(5-3-10)26(24,25)23-9-7-12-14(20-13(19)6-8-18)21-16(17)22-15(12)23;17-5-3-13(20)23-15-11-4-6-21-14(11)24-16(25-15)22-10-2-1-9(8-18)12(19)7-10;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;8-4-5-1-2-6(9)3-7(5)10;4-3-1-2-5-6-3;;;/h2-9H,18H2,1H3,(H2,19,20,21,22);1-8,18H,17,19H2,(H4,20,21,22,23,24,25);2-7H,1H3;1-4,8H,9-10H2;1-2H,(H3,4,5,6);1H4;;1H2/q;;;;;;+1;/p-1/b;5-3?,18-8+;;8-4+
• InChIKey: YIWMBEUFLFSATB-TYALVJNRSA-M
• XLogP: 5.42
• TPSA: 522.56 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1358.85
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide?

The IUPAC name of potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide (CID 159454357) is potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide.

What is the SMILES notation for potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide?

The canonical SMILES for potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide is C.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N=C(N)C=CN)nc(Cl)nc32)cc1.Nc1ccn[nH]1.[H]/N=C/c1ccc(N)cc1N.[H]/N=C/c1ccc(Nc2nc(/N=C(/N)C=CN)c3cc[nH]c3n2)cc1N.[K+].[OH-].

What is the InChIKey of potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide?

The InChIKey is YIWMBEUFLFSATB-TYALVJNRSA-M. The full InChI is InChI=1S/C16H15ClN6O2S.C16H17N9.C13H9Cl2N3O2S.C7H9N3.C3H5N3.CH4.K.H2O/c1-10-2-4-11(5-3-10)26(24,25)23-9-7-12-14(20-13(19)6-8-18)21-16(17)22-15(12)23;17-5-3-13(20)23-15-11-4-6-21-14(11)24-16(25-15)22-10-2-1-9(8-18)12(19)7-10;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;8-4-5-1-2-6(9)3-7(5)10;4-3-1-2-5-6-3;;;/h2-9H,18H2,1H3,(H2,19,20,21,22);1-8,18H,17,19H2,(H4,20,21,22,23,24,25);2-7H,1H3;1-4,8H,9-10H2;1-2H,(H3,4,5,6);1H4;;1H2/q;;;;;;+1;/p-1/b;5-3?,18-8+;;8-4+;;;;.

What are the key properties of potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide?

potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide has a molecular weight of 1358.85 g/mol, XLogP of 5.42, 12 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-amino-N'-[2-(3-amino-4-methanimidoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;3-amino-N'-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]prop-2-enimidamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;methane;4-methanimidoylbenzene-1,3-diamine;1H-pyrazol-5-amine;hydroxide is sourced from PubChem (CID 159454357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).