3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

C147H178Cl4N26O18S3 — CID 157407144

IUPAC3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCON=C(N)c1cccc(C)c1.COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1O.Cc1cc(C(N)=O)ccc1O.Cc1cc(Cl)ccn1.Cc1cc(N)ccn1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=NO)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.[H]/N=C(\N)c1cccc(C)c1
InChIInChI=1S/C9H9N3O.C9H12N2O.C9H11NO2.C8H10N2O.C8H10N2.C8H11NO3S.C8H9NO2.2C8H9NO.C8H11N.2C8H10O2.C7H9NO2S.C6H7ClN2.2C6H6ClN.3C6H8N2.C5H5ClS/c1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-7-4-3-5-8(6-7)9(10)11-12-2;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-3-2-4-7(5-6)8(9)10-11;1-6-3-2-4-7(5-6)8(9)10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-5-4-6(8(9)11)2-3-7(5)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-6-3-4-7(10-2)5-8(6)9;1-6-3-4-8(10-2)7(9)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H2,10,11,12,13);3-6H,1-2H3,(H2,10,11);3-5H,1-2H3,(H2,10,11);2-5,11H,1H3,(H2,9,10);2-5H,1H3,(H3,9,10);3-5H,1-2H3,(H2,9,10,11);2-4,10H,1H3,(H2,9,11);2*2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2*3-5,9H,1-2H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3;3*2-4H,1H3,(H2,7,8);2-3H,1H3
InChIKeyBNVUKQMVXUYFDG-UHFFFAOYSA-N
MW2835.22 g/mol
LogP26.30
Rot. Bonds16

About 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 157407144) has the molecular formula C147H178Cl4N26O18S3 and a molecular weight of 2835.22 g/mol. Its IUPAC name is 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
PubChem CID157407144
Molecular FormulaC147H178Cl4N26O18S3
Molecular Weight2835.22 g/mol
Exact Mass2831.17
IUPAC Name3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCON=C(N)c1cccc(C)c1.COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1O.Cc1cc(C(N)=O)ccc1O.Cc1cc(Cl)ccn1.Cc1cc(N)ccn1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=NO)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.[H]/N=C(\N)c1cccc(C)c1
InChIInChI=1S/C9H9N3O.C9H12N2O.C9H11NO2.C8H10N2O.C8H10N2.C8H11NO3S.C8H9NO2.2C8H9NO.C8H11N.2C8H10O2.C7H9NO2S.C6H7ClN2.2C6H6ClN.3C6H8N2.C5H5ClS/c1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-7-4-3-5-8(6-7)9(10)11-12-2;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-3-2-4-7(5-6)8(9)10-11;1-6-3-2-4-7(5-6)8(9)10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-5-4-6(8(9)11)2-3-7(5)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-6-3-4-7(10-2)5-8(6)9;1-6-3-4-8(10-2)7(9)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H2,10,11,12,13);3-6H,1-2H3,(H2,10,11);3-5H,1-2H3,(H2,10,11);2-5,11H,1H3,(H2,9,10);2-5H,1H3,(H3,9,10);3-5H,1-2H3,(H2,9,10,11);2-4,10H,1H3,(H2,9,11);2*2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2*3-5,9H,1-2H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3;3*2-4H,1H3,(H2,7,8);2-3H,1H3
InChIKeyBNVUKQMVXUYFDG-UHFFFAOYSA-N
XLogP26.30
TPSA815.36 Ų
H-Bond Donors21
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002835.22
LogP ≤ 526.30
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The IUPAC name of 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (CID 157407144) is 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is CON=C(N)c1cccc(C)c1.COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1O.Cc1cc(C(N)=O)ccc1O.Cc1cc(Cl)ccn1.Cc1cc(N)ccn1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=NO)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.[H]/N=C(\N)c1cccc(C)c1.
What is the InChIKey of 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The InChIKey is BNVUKQMVXUYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C9H12N2O.C9H11NO2.C8H10N2O.C8H10N2.C8H11NO3S.C8H9NO2.2C8H9NO.C8H11N.2C8H10O2.C7H9NO2S.C6H7ClN2.2C6H6ClN.3C6H8N2.C5H5ClS/c1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-7-4-3-5-8(6-7)9(10)11-12-2;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-3-2-4-7(5-6)8(9)10-11;1-6-3-2-4-7(5-6)8(9)10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-5-4-6(8(9)11)2-3-7(5)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-6-3-4-7(10-2)5-8(6)9;1-6-3-4-8(10-2)7(9)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H2,10,11,12,13);3-6H,1-2H3,(H2,10,11);3-5H,1-2H3,(H2,10,11);2-5,11H,1H3,(H2,9,10);2-5H,1H3,(H3,9,10);3-5H,1-2H3,(H2,9,10,11);2-4,10H,1H3,(H2,9,11);2*2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2*3-5,9H,1-2H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3;3*2-4H,1H3,(H2,7,8);2-3H,1H3.
What are the key properties of 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 2835.22 g/mol, XLogP of 26.30, 16 rotatable bonds, 21 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 157407144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).