4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine

C122H134Cl7N27O6S3 — CID 158836738

IUPAC4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
SMILESCN(C)S(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)n1.Cc1cccc(-c2cc(CC3(Cc4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccc(S(=O)(=O)N(C)C)cc3)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)n[nH]1.Cc1nc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)n[nH]1
InChIInChI=1S/C23H24ClN3.C23H28N4O2S.C22H25ClN4O2S.C21H22Cl2N4O2S.C17H19ClN6.C16H16Cl2N6/c1-15-4-3-5-20(16(15)2)21-12-19(26-22(25)27-21)14-23(10-11-23)13-17-6-8-18(24)9-7-17;1-16-7-5-10-21(17(16)2)22-15-19(25-23(24)26-22)9-6-8-18-11-13-20(14-12-18)30(28,29)27(3)4;1-15-19(8-5-9-20(15)23)21-14-17(25-22(24)26-21)7-4-6-16-10-12-18(13-11-16)30(28,29)27(2)3;1-27(2)30(28,29)16-11-9-14(10-12-16)5-3-6-15-13-19(26-21(24)25-15)17-7-4-8-18(22)20(17)23;1-10-13(6-4-7-14(10)18)15-9-12(21-17(19)22-15)5-3-8-16-20-11(2)23-24-16;1-9-20-14(24-23-9)7-2-4-10-8-13(22-16(19)21-10)11-5-3-6-12(17)15(11)18/h3-9,12H,10-11,13-14H2,1-2H3,(H2,25,26,27);5,7,10-15H,6,8-9H2,1-4H3,(H2,24,25,26);5,8-14H,4,6-7H2,1-3H3,(H2,24,25,26);4,7-13H,3,5-6H2,1-2H3,(H2,24,25,26);4,6-7,9H,3,5,8H2,1-2H3,(H2,19,21,22)(H,20,23,24);3,5-6,8H,2,4,7H2,1H3,(H2,19,21,22)(H,20,23,24)
InChIKeyIXSSWZFOLQOAKG-UHFFFAOYSA-N
MW2418.97 g/mol
LogP24.82
Rot. Bonds36

About 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine

4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine (PubChem CID 158836738) has the molecular formula C122H134Cl7N27O6S3 and a molecular weight of 2418.97 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
PubChem CID158836738
Molecular FormulaC122H134Cl7N27O6S3
Molecular Weight2418.97 g/mol
Exact Mass2413.80
IUPAC Name4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
SMILESCN(C)S(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)n1.Cc1cccc(-c2cc(CC3(Cc4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccc(S(=O)(=O)N(C)C)cc3)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)n[nH]1.Cc1nc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)n[nH]1
InChIInChI=1S/C23H24ClN3.C23H28N4O2S.C22H25ClN4O2S.C21H22Cl2N4O2S.C17H19ClN6.C16H16Cl2N6/c1-15-4-3-5-20(16(15)2)21-12-19(26-22(25)27-21)14-23(10-11-23)13-17-6-8-18(24)9-7-17;1-16-7-5-10-21(17(16)2)22-15-19(25-23(24)26-22)9-6-8-18-11-13-20(14-12-18)30(28,29)27(3)4;1-15-19(8-5-9-20(15)23)21-14-17(25-22(24)26-21)7-4-6-16-10-12-18(13-11-16)30(28,29)27(2)3;1-27(2)30(28,29)16-11-9-14(10-12-16)5-3-6-15-13-19(26-21(24)25-15)17-7-4-8-18(22)20(17)23;1-10-13(6-4-7-14(10)18)15-9-12(21-17(19)22-15)5-3-8-16-20-11(2)23-24-16;1-9-20-14(24-23-9)7-2-4-10-8-13(22-16(19)21-10)11-5-3-6-12(17)15(11)18/h3-9,12H,10-11,13-14H2,1-2H3,(H2,25,26,27);5,7,10-15H,6,8-9H2,1-4H3,(H2,24,25,26);5,8-14H,4,6-7H2,1-3H3,(H2,24,25,26);4,7-13H,3,5-6H2,1-2H3,(H2,24,25,26);4,6-7,9H,3,5,8H2,1-2H3,(H2,19,21,22)(H,20,23,24);3,5-6,8H,2,4,7H2,1H3,(H2,19,21,22)(H,20,23,24)
InChIKeyIXSSWZFOLQOAKG-UHFFFAOYSA-N
XLogP24.82
TPSA506.08 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002418.97
LogP ≤ 524.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine (CID 158836738) is 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine is CN(C)S(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)n1.Cc1cccc(-c2cc(CC3(Cc4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccc(S(=O)(=O)N(C)C)cc3)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)n[nH]1.Cc1nc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)n[nH]1.
What is the InChIKey of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine?
The InChIKey is IXSSWZFOLQOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3.C23H28N4O2S.C22H25ClN4O2S.C21H22Cl2N4O2S.C17H19ClN6.C16H16Cl2N6/c1-15-4-3-5-20(16(15)2)21-12-19(26-22(25)27-21)14-23(10-11-23)13-17-6-8-18(24)9-7-17;1-16-7-5-10-21(17(16)2)22-15-19(25-23(24)26-22)9-6-8-18-11-13-20(14-12-18)30(28,29)27(3)4;1-15-19(8-5-9-20(15)23)21-14-17(25-22(24)26-21)7-4-6-16-10-12-18(13-11-16)30(28,29)27(2)3;1-27(2)30(28,29)16-11-9-14(10-12-16)5-3-6-15-13-19(26-21(24)25-15)17-7-4-8-18(22)20(17)23;1-10-13(6-4-7-14(10)18)15-9-12(21-17(19)22-15)5-3-8-16-20-11(2)23-24-16;1-9-20-14(24-23-9)7-2-4-10-8-13(22-16(19)21-10)11-5-3-6-12(17)15(11)18/h3-9,12H,10-11,13-14H2,1-2H3,(H2,25,26,27);5,7,10-15H,6,8-9H2,1-4H3,(H2,24,25,26);5,8-14H,4,6-7H2,1-3H3,(H2,24,25,26);4,7-13H,3,5-6H2,1-2H3,(H2,24,25,26);4,6-7,9H,3,5,8H2,1-2H3,(H2,19,21,22)(H,20,23,24);3,5-6,8H,2,4,7H2,1H3,(H2,19,21,22)(H,20,23,24).
What are the key properties of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine?
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine has a molecular weight of 2418.97 g/mol, XLogP of 24.82, 36 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 158836738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).