2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide

C206H251Cl2N31O22S7 — CID 157178544

IUPAC2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
SMILESCCNCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.COc1cc(CCCc2nccc(-c3cccc(CN(C4CCCNC4)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCCc2nccc(-c3cccc(CN(C4CCNCC4)S(C)(=O)=O)c3)n2)ccc1O.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccccc3)n2)c1)C1CCNCC1
InChIInChI=1S/2C27H34N4O4S.C27H34N4O3S.C26H31ClN4O2S.C26H32N4O3S.C26H32N4O2S.C25H30N4O3S.C22H24ClN3O/c1-35-26-17-20(11-12-25(26)32)6-4-10-27-29-15-13-24(30-27)22-8-3-7-21(16-22)19-31(36(2,33)34)23-9-5-14-28-18-23;1-35-26-18-20(9-10-25(26)32)5-4-8-27-29-16-13-24(30-27)22-7-3-6-21(17-22)19-31(36(2,33)34)23-11-14-28-15-12-23;1-35(33,34)31(19-22-12-15-28-16-13-22)20-23-5-2-6-24(18-23)26-14-17-29-27(30-26)7-3-4-21-8-10-25(32)11-9-21;1-34(32,33)31(24-11-14-28-15-12-24)19-21-7-2-8-22(17-21)25-13-16-29-26(30-25)10-4-6-20-5-3-9-23(27)18-20;1-34(32,33)30(23-8-4-15-27-18-23)19-21-6-2-7-22(17-21)25-14-16-28-26(29-25)9-3-5-20-10-12-24(31)13-11-20;1-33(31,32)30(24-13-16-27-17-14-24)20-22-10-5-11-23(19-22)25-15-18-28-26(29-25)12-6-9-21-7-3-2-4-8-21;1-33(31,32)29(22-12-14-26-17-22)18-20-5-2-6-21(16-20)24-13-15-27-25(28-24)7-3-4-19-8-10-23(30)11-9-19;1-2-24-15-17-6-3-7-18(13-17)20-11-12-25-22(26-20)8-4-5-16-9-10-21(27)19(23)14-16/h3,7-8,11-13,15-17,23,28,32H,4-6,9-10,14,18-19H2,1-2H3;3,6-7,9-10,13,16-18,23,28,32H,4-5,8,11-12,14-15,19H2,1-2H3;2,5-6,8-11,14,17-18,22,28,32H,3-4,7,12-13,15-16,19-20H2,1H3;2-3,5,7-9,13,16-18,24,28H,4,6,10-12,14-15,19H2,1H3;2,6-7,10-14,16-17,23,27,31H,3-5,8-9,15,18-19H2,1H3;2-5,7-8,10-11,15,18-19,24,27H,6,9,12-14,16-17,20H2,1H3;2,5-6,8-11,13,15-16,22,26,30H,3-4,7,12,14,17-18H2,1H3;3,6-7,9-14,24,27H,2,4-5,8,15H2,1H3
InChIKeyAOHNAHORSWNABR-UHFFFAOYSA-N
MW3808.84 g/mol
LogP30.67
Rot. Bonds74

About 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide

2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide (PubChem CID 157178544) has the molecular formula C206H251Cl2N31O22S7 and a molecular weight of 3808.84 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
PubChem CID157178544
Molecular FormulaC206H251Cl2N31O22S7
Molecular Weight3808.84 g/mol
Exact Mass3804.69
IUPAC Name2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
SMILESCCNCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.COc1cc(CCCc2nccc(-c3cccc(CN(C4CCCNC4)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCCc2nccc(-c3cccc(CN(C4CCNCC4)S(C)(=O)=O)c3)n2)ccc1O.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccccc3)n2)c1)C1CCNCC1
InChIInChI=1S/2C27H34N4O4S.C27H34N4O3S.C26H31ClN4O2S.C26H32N4O3S.C26H32N4O2S.C25H30N4O3S.C22H24ClN3O/c1-35-26-17-20(11-12-25(26)32)6-4-10-27-29-15-13-24(30-27)22-8-3-7-21(16-22)19-31(36(2,33)34)23-9-5-14-28-18-23;1-35-26-18-20(9-10-25(26)32)5-4-8-27-29-16-13-24(30-27)22-7-3-6-21(17-22)19-31(36(2,33)34)23-11-14-28-15-12-23;1-35(33,34)31(19-22-12-15-28-16-13-22)20-23-5-2-6-24(18-23)26-14-17-29-27(30-26)7-3-4-21-8-10-25(32)11-9-21;1-34(32,33)31(24-11-14-28-15-12-24)19-21-7-2-8-22(17-21)25-13-16-29-26(30-25)10-4-6-20-5-3-9-23(27)18-20;1-34(32,33)30(23-8-4-15-27-18-23)19-21-6-2-7-22(17-21)25-14-16-28-26(29-25)9-3-5-20-10-12-24(31)13-11-20;1-33(31,32)30(24-13-16-27-17-14-24)20-22-10-5-11-23(19-22)25-15-18-28-26(29-25)12-6-9-21-7-3-2-4-8-21;1-33(31,32)29(22-12-14-26-17-22)18-20-5-2-6-21(16-20)24-13-15-27-25(28-24)7-3-4-19-8-10-23(30)11-9-19;1-2-24-15-17-6-3-7-18(13-17)20-11-12-25-22(26-20)8-4-5-16-9-10-21(27)19(23)14-16/h3,7-8,11-13,15-17,23,28,32H,4-6,9-10,14,18-19H2,1-2H3;3,6-7,9-10,13,16-18,23,28,32H,4-5,8,11-12,14-15,19H2,1-2H3;2,5-6,8-11,14,17-18,22,28,32H,3-4,7,12-13,15-16,19-20H2,1H3;2-3,5,7-9,13,16-18,24,28H,4,6,10-12,14-15,19H2,1H3;2,6-7,10-14,16-17,23,27,31H,3-5,8-9,15,18-19H2,1H3;2-5,7-8,10-11,15,18-19,24,27H,6,9,12-14,16-17,20H2,1H3;2,5-6,8-11,13,15-16,22,26,30H,3-4,7,12,14,17-18H2,1H3;3,6-7,9-14,24,27H,2,4-5,8,15H2,1H3
InChIKeyAOHNAHORSWNABR-UHFFFAOYSA-N
XLogP30.67
TPSA703.98 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds74
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003808.84
LogP ≤ 530.67
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Analyze 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide (CID 157178544) is 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide is CCNCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.COc1cc(CCCc2nccc(-c3cccc(CN(C4CCCNC4)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCCc2nccc(-c3cccc(CN(C4CCNCC4)S(C)(=O)=O)c3)n2)ccc1O.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(CCCc3ccccc3)n2)c1)C1CCNCC1.
What is the InChIKey of 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is AOHNAHORSWNABR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H34N4O4S.C27H34N4O3S.C26H31ClN4O2S.C26H32N4O3S.C26H32N4O2S.C25H30N4O3S.C22H24ClN3O/c1-35-26-17-20(11-12-25(26)32)6-4-10-27-29-15-13-24(30-27)22-8-3-7-21(16-22)19-31(36(2,33)34)23-9-5-14-28-18-23;1-35-26-18-20(9-10-25(26)32)5-4-8-27-29-16-13-24(30-27)22-7-3-6-21(17-22)19-31(36(2,33)34)23-11-14-28-15-12-23;1-35(33,34)31(19-22-12-15-28-16-13-22)20-23-5-2-6-24(18-23)26-14-17-29-27(30-26)7-3-4-21-8-10-25(32)11-9-21;1-34(32,33)31(24-11-14-28-15-12-24)19-21-7-2-8-22(17-21)25-13-16-29-26(30-25)10-4-6-20-5-3-9-23(27)18-20;1-34(32,33)30(23-8-4-15-27-18-23)19-21-6-2-7-22(17-21)25-14-16-28-26(29-25)9-3-5-20-10-12-24(31)13-11-20;1-33(31,32)30(24-13-16-27-17-14-24)20-22-10-5-11-23(19-22)25-15-18-28-26(29-25)12-6-9-21-7-3-2-4-8-21;1-33(31,32)29(22-12-14-26-17-22)18-20-5-2-6-21(16-20)24-13-15-27-25(28-24)7-3-4-19-8-10-23(30)11-9-19;1-2-24-15-17-6-3-7-18(13-17)20-11-12-25-22(26-20)8-4-5-16-9-10-21(27)19(23)14-16/h3,7-8,11-13,15-17,23,28,32H,4-6,9-10,14,18-19H2,1-2H3;3,6-7,9-10,13,16-18,23,28,32H,4-5,8,11-12,14-15,19H2,1-2H3;2,5-6,8-11,14,17-18,22,28,32H,3-4,7,12-13,15-16,19-20H2,1H3;2-3,5,7-9,13,16-18,24,28H,4,6,10-12,14-15,19H2,1H3;2,6-7,10-14,16-17,23,27,31H,3-5,8-9,15,18-19H2,1H3;2-5,7-8,10-11,15,18-19,24,27H,6,9,12-14,16-17,20H2,1H3;2,5-6,8-11,13,15-16,22,26,30H,3-4,7,12,14,17-18H2,1H3;3,6-7,9-14,24,27H,2,4-5,8,15H2,1H3.
What are the key properties of 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 3808.84 g/mol, XLogP of 30.67, 74 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 157178544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).