[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine

C155H184Cl2F2N36O14S4 — CID 158012794

IUPAC[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine
SMILESCC(=O)Nc1ccc(CCCNc2cc(-c3cc(C)c(F)cc3C)nc(N)n2)nc1.CC(C)(C)OC(=O)N1CC=C(c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)CC1.COc1cc(C)c(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)cn1.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(=O)N3CCOCC3)cc2)nc(N)n1.Cc1cc(-c2cc(NCCCc3ccc(NS(C)(=O)=O)cn3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(NCCCc3ccc(S(C)(=O)=O)nc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3cncc(S(N)(=O)=O)c3)nc(N)n2)c1C
InChIInChI=1S/C25H26Cl2N4O2.C24H32N4O4S.C22H25FN6O.C22H27N5O.C21H25FN6O2S.C21H25N5O2S.C20H24N6O2S/c1-16-21(13-19(26)14-22(16)27)23-15-20(29-25(28)30-23)4-2-3-17-5-7-18(8-6-17)24(32)31-9-11-33-12-10-31;1-24(2,3)32-23(29)28-14-12-18(13-15-28)21-16-19(26-22(25)27-21)7-5-6-17-8-10-20(11-9-17)33(4,30)31;1-13-10-19(23)14(2)9-18(13)20-11-21(29-22(24)28-20)25-8-4-5-16-6-7-17(12-26-16)27-15(3)30;1-14-7-5-9-18(16(14)3)19-12-20(27-22(23)26-19)24-10-6-8-17-13-25-21(28-4)11-15(17)2;1-13-10-18(22)14(2)9-17(13)19-11-20(27-21(23)26-19)24-8-4-5-15-6-7-16(12-25-15)28-31(3,29)30;1-14-6-4-8-17(15(14)2)18-12-19(26-21(22)25-18)23-11-5-7-16-9-10-20(24-13-16)29(3,27)28;1-13-5-3-7-17(14(13)2)18-10-19(26-20(21)25-18)24-8-4-6-15-9-16(12-23-11-15)29(22,27)28/h5-8,13-15H,2-4,9-12H2,1H3,(H2,28,29,30);8-12,16H,5-7,13-15H2,1-4H3,(H2,25,26,27);6-7,9-12H,4-5,8H2,1-3H3,(H,27,30)(H3,24,25,28,29);5,7,9,11-13H,6,8,10H2,1-4H3,(H3,23,24,26,27);6-7,9-12,28H,4-5,8H2,1-3H3,(H3,23,24,26,27);4,6,8-10,12-13H,5,7,11H2,1-3H3,(H3,22,23,25,26);3,5,7,9-12H,4,6,8H2,1-2H3,(H2,22,27,28)(H3,21,24,25,26)
InChIKeyFFCFXSBDIXVEQT-UHFFFAOYSA-N
MW3012.58 g/mol
LogP25.54
Rot. Bonds48

About [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine

[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine (PubChem CID 158012794) has the molecular formula C155H184Cl2F2N36O14S4 and a molecular weight of 3012.58 g/mol. Its IUPAC name is [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine
PubChem CID158012794
Molecular FormulaC155H184Cl2F2N36O14S4
Molecular Weight3012.58 g/mol
Exact Mass3009.30
IUPAC Name[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine
SMILESCC(=O)Nc1ccc(CCCNc2cc(-c3cc(C)c(F)cc3C)nc(N)n2)nc1.CC(C)(C)OC(=O)N1CC=C(c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)CC1.COc1cc(C)c(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)cn1.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(=O)N3CCOCC3)cc2)nc(N)n1.Cc1cc(-c2cc(NCCCc3ccc(NS(C)(=O)=O)cn3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(NCCCc3ccc(S(C)(=O)=O)nc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3cncc(S(N)(=O)=O)c3)nc(N)n2)c1C
InChIInChI=1S/C25H26Cl2N4O2.C24H32N4O4S.C22H25FN6O.C22H27N5O.C21H25FN6O2S.C21H25N5O2S.C20H24N6O2S/c1-16-21(13-19(26)14-22(16)27)23-15-20(29-25(28)30-23)4-2-3-17-5-7-18(8-6-17)24(32)31-9-11-33-12-10-31;1-24(2,3)32-23(29)28-14-12-18(13-15-28)21-16-19(26-22(25)27-21)7-5-6-17-8-10-20(11-9-17)33(4,30)31;1-13-10-19(23)14(2)9-18(13)20-11-21(29-22(24)28-20)25-8-4-5-16-6-7-17(12-26-16)27-15(3)30;1-14-7-5-9-18(16(14)3)19-12-20(27-22(23)26-19)24-10-6-8-17-13-25-21(28-4)11-15(17)2;1-13-10-18(22)14(2)9-17(13)19-11-20(27-21(23)26-19)24-8-4-5-15-6-7-16(12-25-15)28-31(3,29)30;1-14-6-4-8-17(15(14)2)18-12-19(26-21(22)25-18)23-11-5-7-16-9-10-20(24-13-16)29(3,27)28;1-13-5-3-7-17(14(13)2)18-10-19(26-20(21)25-18)24-8-4-6-15-9-16(12-23-11-15)29(22,27)28/h5-8,13-15H,2-4,9-12H2,1H3,(H2,28,29,30);8-12,16H,5-7,13-15H2,1-4H3,(H2,25,26,27);6-7,9-12H,4-5,8H2,1-3H3,(H,27,30)(H3,24,25,28,29);5,7,9,11-13H,6,8,10H2,1-4H3,(H3,23,24,26,27);6-7,9-12,28H,4-5,8H2,1-3H3,(H3,23,24,26,27);4,6,8-10,12-13H,5,7,11H2,1-3H3,(H3,22,23,25,26);3,5,7,9-12H,4,6,8H2,1-2H3,(H2,22,27,28)(H3,21,24,25,26)
InChIKeyFFCFXSBDIXVEQT-UHFFFAOYSA-N
XLogP25.54
TPSA759.22 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds48
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003012.58
LogP ≤ 525.54
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine (CID 158012794) is [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine is CC(=O)Nc1ccc(CCCNc2cc(-c3cc(C)c(F)cc3C)nc(N)n2)nc1.CC(C)(C)OC(=O)N1CC=C(c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)CC1.COc1cc(C)c(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)cn1.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(=O)N3CCOCC3)cc2)nc(N)n1.Cc1cc(-c2cc(NCCCc3ccc(NS(C)(=O)=O)cn3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(NCCCc3ccc(S(C)(=O)=O)nc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3cncc(S(N)(=O)=O)c3)nc(N)n2)c1C.
What is the InChIKey of [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine?
The InChIKey is FFCFXSBDIXVEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O2.C24H32N4O4S.C22H25FN6O.C22H27N5O.C21H25FN6O2S.C21H25N5O2S.C20H24N6O2S/c1-16-21(13-19(26)14-22(16)27)23-15-20(29-25(28)30-23)4-2-3-17-5-7-18(8-6-17)24(32)31-9-11-33-12-10-31;1-24(2,3)32-23(29)28-14-12-18(13-15-28)21-16-19(26-22(25)27-21)7-5-6-17-8-10-20(11-9-17)33(4,30)31;1-13-10-19(23)14(2)9-18(13)20-11-21(29-22(24)28-20)25-8-4-5-16-6-7-17(12-26-16)27-15(3)30;1-14-7-5-9-18(16(14)3)19-12-20(27-22(23)26-19)24-10-6-8-17-13-25-21(28-4)11-15(17)2;1-13-10-18(22)14(2)9-17(13)19-11-20(27-21(23)26-19)24-8-4-5-15-6-7-16(12-25-15)28-31(3,29)30;1-14-6-4-8-17(15(14)2)18-12-19(26-21(22)25-18)23-11-5-7-16-9-10-20(24-13-16)29(3,27)28;1-13-5-3-7-17(14(13)2)18-10-19(26-20(21)25-18)24-8-4-6-15-9-16(12-23-11-15)29(22,27)28/h5-8,13-15H,2-4,9-12H2,1H3,(H2,28,29,30);8-12,16H,5-7,13-15H2,1-4H3,(H2,25,26,27);6-7,9-12H,4-5,8H2,1-3H3,(H,27,30)(H3,24,25,28,29);5,7,9,11-13H,6,8,10H2,1-4H3,(H3,23,24,26,27);6-7,9-12,28H,4-5,8H2,1-3H3,(H3,23,24,26,27);4,6,8-10,12-13H,5,7,11H2,1-3H3,(H3,22,23,25,26);3,5,7,9-12H,4,6,8H2,1-2H3,(H2,22,27,28)(H3,21,24,25,26).
What are the key properties of [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine?
[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine has a molecular weight of 3012.58 g/mol, XLogP of 25.54, 48 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158012794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).