4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine

C74H85Cl5F3N23O — CID 159738084

About 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine

4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine (PubChem CID 159738084) has the molecular formula C74H85Cl5F3N23O and a molecular weight of 1546.91 g/mol. Its IUPAC name is 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine
• PubChem CID: 159738084
• Molecular Formula: C74H85Cl5F3N23O
• Molecular Weight: 1546.91 g/mol
• Exact Mass: 1543.57
• IUPAC Name: 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine
• SMILES: Cc1cc(N)nc(Cl)c1.Cc1cc(N)ncc1F.Cc1ccc(Cl)c(N)n1.Cc1ccnc(Cl)c1.Cc1ccnc(N)n1.Cc1nc(N)c(Cl)cc1F.Cc1nccc(Cl)c1F.[H]/N=C(\N)c1ccc(N)c(C)c1.[H]/N=C(\N)c1ccc(O)c(C)c1.[H]/N=C(\N)c1ccc([N+]#[C-])c(C)c1.[H]/N=C(\N)c1cccc(C)c1
• InChI: InChI=1S/C9H9N3.C8H11N3.C8H10N2O.C8H10N2.C6H6ClFN2.C6H5ClFN.2C6H7ClN2.C6H6ClN.C6H7FN2.C5H7N3/c1-6-5-7(9(10)11)3-4-8(6)12-2;1-5-4-6(8(10)11)2-3-7(5)9;1-5-4-6(8(9)10)2-3-7(5)11;1-6-3-2-4-7(5-6)8(9)10;1-3-5(8)2-4(7)6(9)10-3;1-4-6(8)5(7)2-3-9-4;1-4-2-5(7)9-6(8)3-4;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-4-2-6(8)9-3-5(4)7;1-4-2-3-7-5(6)8-4/h3-5H,1H3,(H3,10,11);2-4H,9H2,1H3,(H3,10,11);2-4,11H,1H3,(H3,9,10);2-5H,1H3,(H3,9,10);2H,1H3,(H2,9,10);2-3H,1H3;2*2-3H,1H3,(H2,8,9);2-4H,1H3;2-3H,1H3,(H2,8,9);2-3H,1H3,(H2,6,7,8)
• InChIKey: NCBYLOFIOBQLOI-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 483.31 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 19
• Rotatable Bonds: 4
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1546.91
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine?

The IUPAC name of 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine (CID 159738084) is 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine.

What is the SMILES notation for 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine?

The canonical SMILES for 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine is Cc1cc(N)nc(Cl)c1.Cc1cc(N)ncc1F.Cc1ccc(Cl)c(N)n1.Cc1ccnc(Cl)c1.Cc1ccnc(N)n1.Cc1nc(N)c(Cl)cc1F.Cc1nccc(Cl)c1F.[H]/N=C(\N)c1ccc(N)c(C)c1.[H]/N=C(\N)c1ccc(O)c(C)c1.[H]/N=C(\N)c1ccc([N+]#[C-])c(C)c1.[H]/N=C(\N)c1cccc(C)c1.

What is the InChIKey of 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine?

The InChIKey is NCBYLOFIOBQLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C8H11N3.C8H10N2O.C8H10N2.C6H6ClFN2.C6H5ClFN.2C6H7ClN2.C6H6ClN.C6H7FN2.C5H7N3/c1-6-5-7(9(10)11)3-4-8(6)12-2;1-5-4-6(8(10)11)2-3-7(5)9;1-5-4-6(8(9)10)2-3-7(5)11;1-6-3-2-4-7(5-6)8(9)10;1-3-5(8)2-4(7)6(9)10-3;1-4-6(8)5(7)2-3-9-4;1-4-2-5(7)9-6(8)3-4;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-4-2-6(8)9-3-5(4)7;1-4-2-3-7-5(6)8-4/h3-5H,1H3,(H3,10,11);2-4H,9H2,1H3,(H3,10,11);2-4,11H,1H3,(H3,9,10);2-5H,1H3,(H3,9,10);2H,1H3,(H2,9,10);2-3H,1H3;2*2-3H,1H3,(H2,8,9);2-4H,1H3;2-3H,1H3,(H2,8,9);2-3H,1H3,(H2,6,7,8).

What are the key properties of 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine?

4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine has a molecular weight of 1546.91 g/mol, XLogP of 15.68, 4 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-methylbenzenecarboximidamide;3-chloro-5-fluoro-6-methylpyridin-2-amine;4-chloro-3-fluoro-2-methylpyridine;3-chloro-6-methylpyridin-2-amine;6-chloro-4-methylpyridin-2-amine;2-chloro-4-methylpyridine;5-fluoro-4-methylpyridin-2-amine;4-hydroxy-3-methylbenzenecarboximidamide;4-isocyano-3-methylbenzenecarboximidamide;3-methylbenzenecarboximidamide;4-methylpyrimidin-2-amine is sourced from PubChem (CID 159738084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).