N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate

C134H145Cl6N23O14S3 — CID 159327982

IUPACN-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate
SMILESCC(=O)Nc1ccc(CCCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1C.CCc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CS(=O)(=O)CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CS(=O)CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)OCC(O)CO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(S(C)(=O)=O)nc2)nc(N)n1
InChIInChI=1S/C24H26ClN3O4.C23H26ClN5O.C23H24ClN3O4S.C22H23ClN4O3S.C22H24ClN3.C20H22ClN5O2S/c1-15-20(6-3-7-21(15)25)22-12-18(27-24(26)28-22)5-2-4-16-8-10-17(11-9-16)23(31)32-14-19(30)13-29;1-14-12-17(9-10-20(14)27-16(3)30)6-5-11-26-22-13-21(28-23(25)29-22)18-7-4-8-19(24)15(18)2;1-15-19(6-3-7-20(15)24)21-13-18(26-23(25)27-21)5-4-12-32(29,30)14-16-8-10-17(11-9-16)22(28)31-2;1-14-17(4-3-5-18(14)23)19-12-20(27-22(24)26-19)25-10-11-31(29)13-15-6-8-16(9-7-15)21(28)30-2;1-3-16-10-12-17(13-11-16)6-4-7-18-14-21(26-22(24)25-18)19-8-5-9-20(23)15(19)2;1-13-15(6-3-7-16(13)21)17-11-18(26-20(22)25-17)23-10-4-5-14-8-9-19(24-12-14)29(2,27)28/h3,6-12,19,29-30H,2,4-5,13-14H2,1H3,(H2,26,27,28);4,7-10,12-13H,5-6,11H2,1-3H3,(H,27,30)(H3,25,26,28,29);3,6-11,13H,4-5,12,14H2,1-2H3,(H2,25,26,27);3-9,12H,10-11,13H2,1-2H3,(H3,24,25,26,27);5,8-14H,3-4,6-7H2,1-2H3,(H2,24,25,26);3,6-9,11-12H,4-5,10H2,1-2H3,(H3,22,23,25,26)
InChIKeyLEPNMBSVUQRHTB-UHFFFAOYSA-N
MW2610.70 g/mol
LogP25.19
Rot. Bonds45

About N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate

N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate (PubChem CID 159327982) has the molecular formula C134H145Cl6N23O14S3 and a molecular weight of 2610.70 g/mol. Its IUPAC name is N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate.

Molecular Properties

Compound NameN-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate
PubChem CID159327982
Molecular FormulaC134H145Cl6N23O14S3
Molecular Weight2610.70 g/mol
Exact Mass2605.86
IUPAC NameN-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate
SMILESCC(=O)Nc1ccc(CCCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1C.CCc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CS(=O)(=O)CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CS(=O)CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)OCC(O)CO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(S(C)(=O)=O)nc2)nc(N)n1
InChIInChI=1S/C24H26ClN3O4.C23H26ClN5O.C23H24ClN3O4S.C22H23ClN4O3S.C22H24ClN3.C20H22ClN5O2S/c1-15-20(6-3-7-21(15)25)22-12-18(27-24(26)28-22)5-2-4-16-8-10-17(11-9-16)23(31)32-14-19(30)13-29;1-14-12-17(9-10-20(14)27-16(3)30)6-5-11-26-22-13-21(28-23(25)29-22)18-7-4-8-19(24)15(18)2;1-15-19(6-3-7-20(15)24)21-13-18(26-23(25)27-21)5-4-12-32(29,30)14-16-8-10-17(11-9-16)22(28)31-2;1-14-17(4-3-5-18(14)23)19-12-20(27-22(24)26-19)25-10-11-31(29)13-15-6-8-16(9-7-15)21(28)30-2;1-3-16-10-12-17(13-11-16)6-4-7-18-14-21(26-22(24)25-18)19-8-5-9-20(23)15(19)2;1-13-15(6-3-7-16(13)21)17-11-18(26-20(22)25-17)23-10-4-5-14-8-9-19(24-12-14)29(2,27)28/h3,6-12,19,29-30H,2,4-5,13-14H2,1H3,(H2,26,27,28);4,7-10,12-13H,5-6,11H2,1-3H3,(H,27,30)(H3,25,26,28,29);3,6-11,13H,4-5,12,14H2,1-2H3,(H2,25,26,27);3-9,12H,10-11,13H2,1-2H3,(H3,24,25,26,27);5,8-14H,3-4,6-7H2,1-2H3,(H2,24,25,26);3,6-9,11-12H,4-5,10H2,1-2H3,(H3,22,23,25,26)
InChIKeyLEPNMBSVUQRHTB-UHFFFAOYSA-N
XLogP25.19
TPSA593.59 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds45
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002610.70
LogP ≤ 525.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;bis([3-[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoyl]amino]-2-(trifluoromethyl)phenyl]-2-oxopropyl] 2,6-dichlorobenzoate)
CID 158771968
2-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]guanidine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfinyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfonyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfinyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfonyl)ethyl]pyrimidine-2,4-diamine;ethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 157115222
6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 159073616
Ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanylmethyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 159395582
N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 160093457

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate?
The IUPAC name of N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate (CID 159327982) is N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate.
What is the SMILES notation for N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate?
The canonical SMILES for N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate is CC(=O)Nc1ccc(CCCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1C.CCc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CS(=O)(=O)CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CS(=O)CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)OCC(O)CO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(S(C)(=O)=O)nc2)nc(N)n1.
What is the InChIKey of N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate?
The InChIKey is LEPNMBSVUQRHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4.C23H26ClN5O.C23H24ClN3O4S.C22H23ClN4O3S.C22H24ClN3.C20H22ClN5O2S/c1-15-20(6-3-7-21(15)25)22-12-18(27-24(26)28-22)5-2-4-16-8-10-17(11-9-16)23(31)32-14-19(30)13-29;1-14-12-17(9-10-20(14)27-16(3)30)6-5-11-26-22-13-21(28-23(25)29-22)18-7-4-8-19(24)15(18)2;1-15-19(6-3-7-20(15)24)21-13-18(26-23(25)27-21)5-4-12-32(29,30)14-16-8-10-17(11-9-16)22(28)31-2;1-14-17(4-3-5-18(14)23)19-12-20(27-22(24)26-19)25-10-11-31(29)13-15-6-8-16(9-7-15)21(28)30-2;1-3-16-10-12-17(13-11-16)6-4-7-18-14-21(26-22(24)25-18)19-8-5-9-20(23)15(19)2;1-13-15(6-3-7-16(13)21)17-11-18(26-20(22)25-17)23-10-4-5-14-8-9-19(24-12-14)29(2,27)28/h3,6-12,19,29-30H,2,4-5,13-14H2,1H3,(H2,26,27,28);4,7-10,12-13H,5-6,11H2,1-3H3,(H,27,30)(H3,25,26,28,29);3,6-11,13H,4-5,12,14H2,1-2H3,(H2,25,26,27);3-9,12H,10-11,13H2,1-2H3,(H3,24,25,26,27);5,8-14H,3-4,6-7H2,1-2H3,(H2,24,25,26);3,6-9,11-12H,4-5,10H2,1-2H3,(H3,22,23,25,26).
What are the key properties of N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate?
N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate has a molecular weight of 2610.70 g/mol, XLogP of 25.19, 45 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylphenyl]acetamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate;methyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylsulfonylmethyl]benzoate is sourced from PubChem (CID 159327982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).