2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine

C271H318ClF12N39S — CID 158493308

IUPAC2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine
SMILESCC(C)C1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CC(C)C1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(C(F)(F)F)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C1CNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1)C[C@H]1CCCNC1.Fc1cc(F)cc(CCCc2nccc(-c3cccc(CN4CCN[C@@H](Cc5c[nH]c6ccccc56)C4)c3)n2)c1.Fc1cccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)c1.Fc1cnc(CCCc2cccc(Cl)c2)nc1-c1cccc(CCC2CCNCC2)c1.Fc1cnc(CCCc2ccccc2)nc1-c1cccc(CCC2CCNCC2)c1
InChIInChI=1S/C33H33F2N5.C28H33F3N4.C28H35FN4.C27H33FN4.C26H29ClFN3.C26H29F2N3.C26H30FN3.C26H33N5.C26H34N4S.C25H29FN4/c34-27-16-23(17-28(35)19-27)5-4-10-33-37-12-11-31(39-33)25-7-3-6-24(15-25)21-40-14-13-36-29(22-40)18-26-20-38-32-9-2-1-8-30(26)32;1-2-35(25-12-15-32-16-13-25)20-22-8-3-9-23(18-22)26-14-17-33-27(34-26)11-5-7-21-6-4-10-24(19-21)28(29,30)31;1-2-33(21-24-10-6-15-30-19-24)20-23-9-3-11-25(17-23)27-14-16-31-28(32-27)13-5-8-22-7-4-12-26(29)18-22;1-20(2)26-18-29-14-15-32(26)19-22-8-3-9-23(16-22)25-12-13-30-27(31-25)11-5-7-21-6-4-10-24(28)17-21;2*27-23-8-2-5-20(17-23)6-3-9-25-30-18-24(28)26(31-25)22-7-1-4-21(16-22)11-10-19-12-14-29-15-13-19;27-24-19-29-25(11-5-8-20-6-2-1-3-7-20)30-26(24)23-10-4-9-22(18-23)13-12-21-14-16-28-17-15-21;1-20(2)25-18-28-15-16-31(25)19-22-6-3-7-23(17-22)24-11-14-29-26(30-24)8-4-5-21-9-12-27-13-10-21;1-2-30(20-22-8-5-14-27-18-22)19-21-7-3-9-23(17-21)25-13-15-28-26(29-25)12-4-10-24-11-6-16-31-24;1-2-30(23-16-27-17-23)18-20-8-3-9-21(14-20)24-12-13-28-25(29-24)11-5-7-19-6-4-10-22(26)15-19/h1-3,6-9,11-12,15-17,19-20,29,36,38H,4-5,10,13-14,18,21-22H2;3-4,6,8-10,14,17-19,25,32H,2,5,7,11-13,15-16,20H2,1H3;3-4,7,9,11-12,14,16-18,24,30H,2,5-6,8,10,13,15,19-21H2,1H3;3-4,6,8-10,12-13,16-17,20,26,29H,5,7,11,14-15,18-19H2,1-2H3;2*1-2,4-5,7-8,16-19,29H,3,6,9-15H2;1-4,6-7,9-10,18-19,21,28H,5,8,11-17H2;3,6-7,9-14,17,20,25,28H,4-5,8,15-16,18-19H2,1-2H3;3,6-7,9,11,13,15-17,22,27H,2,4-5,8,10,12,14,18-20H2,1H3;3-4,6,8-10,12-15,23,27H,2,5,7,11,16-18H2,1H3/t29-;;24-;;;;;;22-;/m0.0.....0./s1
InChIKeyHIYUYKHLYNSTNB-MFRVGFDGSA-N
MW4417.29 g/mol
LogP52.73
Rot. Bonds87

About 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine

2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine (PubChem CID 158493308) has the molecular formula C271H318ClF12N39S and a molecular weight of 4417.29 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine
PubChem CID158493308
Molecular FormulaC271H318ClF12N39S
Molecular Weight4417.29 g/mol
Exact Mass4413.53
IUPAC Name2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine
SMILESCC(C)C1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CC(C)C1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(C(F)(F)F)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C1CNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1)C[C@H]1CCCNC1.Fc1cc(F)cc(CCCc2nccc(-c3cccc(CN4CCN[C@@H](Cc5c[nH]c6ccccc56)C4)c3)n2)c1.Fc1cccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)c1.Fc1cnc(CCCc2cccc(Cl)c2)nc1-c1cccc(CCC2CCNCC2)c1.Fc1cnc(CCCc2ccccc2)nc1-c1cccc(CCC2CCNCC2)c1
InChIInChI=1S/C33H33F2N5.C28H33F3N4.C28H35FN4.C27H33FN4.C26H29ClFN3.C26H29F2N3.C26H30FN3.C26H33N5.C26H34N4S.C25H29FN4/c34-27-16-23(17-28(35)19-27)5-4-10-33-37-12-11-31(39-33)25-7-3-6-24(15-25)21-40-14-13-36-29(22-40)18-26-20-38-32-9-2-1-8-30(26)32;1-2-35(25-12-15-32-16-13-25)20-22-8-3-9-23(18-22)26-14-17-33-27(34-26)11-5-7-21-6-4-10-24(19-21)28(29,30)31;1-2-33(21-24-10-6-15-30-19-24)20-23-9-3-11-25(17-23)27-14-16-31-28(32-27)13-5-8-22-7-4-12-26(29)18-22;1-20(2)26-18-29-14-15-32(26)19-22-8-3-9-23(16-22)25-12-13-30-27(31-25)11-5-7-21-6-4-10-24(28)17-21;2*27-23-8-2-5-20(17-23)6-3-9-25-30-18-24(28)26(31-25)22-7-1-4-21(16-22)11-10-19-12-14-29-15-13-19;27-24-19-29-25(11-5-8-20-6-2-1-3-7-20)30-26(24)23-10-4-9-22(18-23)13-12-21-14-16-28-17-15-21;1-20(2)25-18-28-15-16-31(25)19-22-6-3-7-23(17-22)24-11-14-29-26(30-24)8-4-5-21-9-12-27-13-10-21;1-2-30(20-22-8-5-14-27-18-22)19-21-7-3-9-23(17-21)25-13-15-28-26(29-25)12-4-10-24-11-6-16-31-24;1-2-30(23-16-27-17-23)18-20-8-3-9-21(14-20)24-12-13-28-25(29-24)11-5-7-19-6-4-10-22(26)15-19/h1-3,6-9,11-12,15-17,19-20,29,36,38H,4-5,10,13-14,18,21-22H2;3-4,6,8-10,14,17-19,25,32H,2,5,7,11-13,15-16,20H2,1H3;3-4,7,9,11-12,14,16-18,24,30H,2,5-6,8,10,13,15,19-21H2,1H3;3-4,6,8-10,12-13,16-17,20,26,29H,5,7,11,14-15,18-19H2,1-2H3;2*1-2,4-5,7-8,16-19,29H,3,6,9-15H2;1-4,6-7,9-10,18-19,21,28H,5,8,11-17H2;3,6-7,9-14,17,20,25,28H,4-5,8,15-16,18-19H2,1-2H3;3,6-7,9,11,13,15-17,22,27H,2,4-5,8,10,12,14,18-20H2,1H3;3-4,6,8-10,12-15,23,27H,2,5,7,11,16-18H2,1H3/t29-;;24-;;;;;;22-;/m0.0.....0./s1
InChIKeyHIYUYKHLYNSTNB-MFRVGFDGSA-N
XLogP52.73
TPSA429.46 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds87
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004417.29
LogP ≤ 552.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine?
The IUPAC name of 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine (CID 158493308) is 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine?
The canonical SMILES for 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine is CC(C)C1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CC(C)C1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(C(F)(F)F)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C1CNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1)C[C@H]1CCCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1)C[C@H]1CCCNC1.Fc1cc(F)cc(CCCc2nccc(-c3cccc(CN4CCN[C@@H](Cc5c[nH]c6ccccc56)C4)c3)n2)c1.Fc1cccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)c1.Fc1cnc(CCCc2cccc(Cl)c2)nc1-c1cccc(CCC2CCNCC2)c1.Fc1cnc(CCCc2ccccc2)nc1-c1cccc(CCC2CCNCC2)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine?
The InChIKey is HIYUYKHLYNSTNB-MFRVGFDGSA-N. The full InChI is InChI=1S/C33H33F2N5.C28H33F3N4.C28H35FN4.C27H33FN4.C26H29ClFN3.C26H29F2N3.C26H30FN3.C26H33N5.C26H34N4S.C25H29FN4/c34-27-16-23(17-28(35)19-27)5-4-10-33-37-12-11-31(39-33)25-7-3-6-24(15-25)21-40-14-13-36-29(22-40)18-26-20-38-32-9-2-1-8-30(26)32;1-2-35(25-12-15-32-16-13-25)20-22-8-3-9-23(18-22)26-14-17-33-27(34-26)11-5-7-21-6-4-10-24(19-21)28(29,30)31;1-2-33(21-24-10-6-15-30-19-24)20-23-9-3-11-25(17-23)27-14-16-31-28(32-27)13-5-8-22-7-4-12-26(29)18-22;1-20(2)26-18-29-14-15-32(26)19-22-8-3-9-23(16-22)25-12-13-30-27(31-25)11-5-7-21-6-4-10-24(28)17-21;2*27-23-8-2-5-20(17-23)6-3-9-25-30-18-24(28)26(31-25)22-7-1-4-21(16-22)11-10-19-12-14-29-15-13-19;27-24-19-29-25(11-5-8-20-6-2-1-3-7-20)30-26(24)23-10-4-9-22(18-23)13-12-21-14-16-28-17-15-21;1-20(2)25-18-28-15-16-31(25)19-22-6-3-7-23(17-22)24-11-14-29-26(30-24)8-4-5-21-9-12-27-13-10-21;1-2-30(20-22-8-5-14-27-18-22)19-21-7-3-9-23(17-21)25-13-15-28-26(29-25)12-4-10-24-11-6-16-31-24;1-2-30(23-16-27-17-23)18-20-8-3-9-21(14-20)24-12-13-28-25(29-24)11-5-7-19-6-4-10-22(26)15-19/h1-3,6-9,11-12,15-17,19-20,29,36,38H,4-5,10,13-14,18,21-22H2;3-4,6,8-10,14,17-19,25,32H,2,5,7,11-13,15-16,20H2,1H3;3-4,7,9,11-12,14,16-18,24,30H,2,5-6,8,10,13,15,19-21H2,1H3;3-4,6,8-10,12-13,16-17,20,26,29H,5,7,11,14-15,18-19H2,1-2H3;2*1-2,4-5,7-8,16-19,29H,3,6,9-15H2;1-4,6-7,9-10,18-19,21,28H,5,8,11-17H2;3,6-7,9-14,17,20,25,28H,4-5,8,15-16,18-19H2,1-2H3;3,6-7,9,11,13,15-17,22,27H,2,4-5,8,10,12,14,18-20H2,1H3;3-4,6,8-10,12-15,23,27H,2,5,7,11,16-18H2,1H3/t29-;;24-;;;;;;22-;/m0.0.....0./s1.
What are the key properties of 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine?
2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine has a molecular weight of 4417.29 g/mol, XLogP of 52.73, 87 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;3-[[(2S)-4-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]methyl]-1H-indole;N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]azetidin-3-amine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-(3-phenylpropyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-fluorophenyl)propyl]-4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;4-[3-[(2-propan-2-ylpiperazin-1-yl)methyl]phenyl]-2-(3-pyridin-4-ylpropyl)pyrimidine is sourced from PubChem (CID 158493308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).