4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C163H202FN23O6 — CID 159152236

IUPAC4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C[C@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(O)c3)n2)c1)C[C@H]1CCCNC1.CN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)C2CC2)CC1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(CCCc3cccc(O)c3)n2)c1
InChIInChI=1S/C29H36N4O.C28H36N4O.C28H35N3O.C27H34N4O.C26H32N4O.C25H29FN4O/c1-32-18-15-26(16-19-32)33(25-10-11-25)21-23-5-2-6-24(20-23)28-14-17-30-29(31-28)7-3-4-22-8-12-27(34)13-9-22;1-2-32(21-24-10-6-15-29-19-24)20-23-9-3-11-25(17-23)27-14-16-30-28(31-27)13-5-8-22-7-4-12-26(33)18-22;1-2-31(20-23-7-3-4-8-23)21-24-10-5-11-25(19-24)27-17-18-29-28(30-27)12-6-9-22-13-15-26(32)16-14-22;1-2-31(20-23-13-15-28-18-23)19-22-6-3-7-24(17-22)26-14-16-29-27(30-26)8-4-5-21-9-11-25(32)12-10-21;1-2-30(23-13-15-27-18-23)19-21-6-3-7-22(17-21)25-14-16-28-26(29-25)8-4-5-20-9-11-24(31)12-10-20;1-18-16-27-12-13-30(18)17-20-8-9-23(26)22(15-20)24-10-11-28-25(29-24)7-3-5-19-4-2-6-21(31)14-19/h2,5-6,8-9,12-14,17,20,25-26,34H,3-4,7,10-11,15-16,18-19,21H2,1H3;3-4,7,9,11-12,14,16-18,24,29,33H,2,5-6,8,10,13,15,19-21H2,1H3;5,10-11,13-19,23,32H,2-4,6-9,12,20-21H2,1H3;3,6-7,9-12,14,16-17,23,28,32H,2,4-5,8,13,15,18-20H2,1H3;3,6-7,9-12,14,16-17,23,27,31H,2,4-5,8,13,15,18-19H2,1H3;2,4,6,8-11,14-15,18,27,31H,3,5,7,12-13,16-17H2,1H3/t;24-;;23-;;18-/m.0.0.0/s1
InChIKeyKJLFXGBACJKAAT-MZTMTRPSSA-N
MW2598.56 g/mol
LogP28.59
Rot. Bonds55

About 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 159152236) has the molecular formula C163H202FN23O6 and a molecular weight of 2598.56 g/mol. Its IUPAC name is 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID159152236
Molecular FormulaC163H202FN23O6
Molecular Weight2598.56 g/mol
Exact Mass2596.62
IUPAC Name4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C[C@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(O)c3)n2)c1)C[C@H]1CCCNC1.CN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)C2CC2)CC1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(CCCc3cccc(O)c3)n2)c1
InChIInChI=1S/C29H36N4O.C28H36N4O.C28H35N3O.C27H34N4O.C26H32N4O.C25H29FN4O/c1-32-18-15-26(16-19-32)33(25-10-11-25)21-23-5-2-6-24(20-23)28-14-17-30-29(31-28)7-3-4-22-8-12-27(34)13-9-22;1-2-32(21-24-10-6-15-29-19-24)20-23-9-3-11-25(17-23)27-14-16-30-28(31-27)13-5-8-22-7-4-12-26(33)18-22;1-2-31(20-23-7-3-4-8-23)21-24-10-5-11-25(19-24)27-17-18-29-28(30-27)12-6-9-22-13-15-26(32)16-14-22;1-2-31(20-23-13-15-28-18-23)19-22-6-3-7-24(17-22)26-14-16-29-27(30-26)8-4-5-21-9-11-25(32)12-10-21;1-2-30(23-13-15-27-18-23)19-21-6-3-7-22(17-21)25-14-16-28-26(29-25)8-4-5-20-9-11-24(31)12-10-20;1-18-16-27-12-13-30(18)17-20-8-9-23(26)22(15-20)24-10-11-28-25(29-24)7-3-5-19-4-2-6-21(31)14-19/h2,5-6,8-9,12-14,17,20,25-26,34H,3-4,7,10-11,15-16,18-19,21H2,1H3;3-4,7,9,11-12,14,16-18,24,29,33H,2,5-6,8,10,13,15,19-21H2,1H3;5,10-11,13-19,23,32H,2-4,6-9,12,20-21H2,1H3;3,6-7,9-12,14,16-17,23,28,32H,2,4-5,8,13,15,18-20H2,1H3;3,6-7,9-12,14,16-17,23,27,31H,2,4-5,8,13,15,18-19H2,1H3;2,4,6,8-11,14-15,18,27,31H,3,5,7,12-13,16-17H2,1H3/t;24-;;23-;;18-/m.0.0.0/s1
InChIKeyKJLFXGBACJKAAT-MZTMTRPSSA-N
XLogP28.59
TPSA346.86 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds55
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002598.56
LogP ≤ 528.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Related Compounds

3-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol
CID 58199547
3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199551
3-[3-[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol
CID 58199911
3-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol
CID 58199951
4-[2-[[4-[3-[[Ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol
CID 58603636
2-(2,5-Dimethylphenoxy)-4-[2-[5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
CID 70196666
3-[[[2-(4-fluorophenyl)-3-[2-[(4-hydroxyphenyl)methylamino]pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl-propylamino]methyl]phenol
CID 71132093
3-[2-[[4-[5-[[[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]-[(2S)-2-methylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292577
4-[2-[[4-[3-[(tert-butylamino)methyl]phenyl]pyrimidin-2-yl]-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]-[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]amino]ethyl]phenol
CID 139292626
4-[2-[[4-[3-[[[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]-piperazin-1-ylmethyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292662
4-[2-[[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]-(2-ethyl-4-methylpiperazin-1-yl)methyl]-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292877
3-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]-[[4-[3-[[ethyl-[(3S)-pyrrolidin-3-yl]amino]methyl]phenyl]pyrimidin-2-yl]-[2-(3-fluorophenyl)ethyl]amino]methyl]-2-methylphenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292878

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 159152236) is 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C1CCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)CC1CCCC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1)C[C@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(O)c3)n2)c1)C[C@H]1CCCNC1.CN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)C2CC2)CC1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(CCCc3cccc(O)c3)n2)c1.
What is the InChIKey of 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is KJLFXGBACJKAAT-MZTMTRPSSA-N. The full InChI is InChI=1S/C29H36N4O.C28H36N4O.C28H35N3O.C27H34N4O.C26H32N4O.C25H29FN4O/c1-32-18-15-26(16-19-32)33(25-10-11-25)21-23-5-2-6-24(20-23)28-14-17-30-29(31-28)7-3-4-22-8-12-27(34)13-9-22;1-2-32(21-24-10-6-15-29-19-24)20-23-9-3-11-25(17-23)27-14-16-30-28(31-27)13-5-8-22-7-4-12-26(33)18-22;1-2-31(20-23-7-3-4-8-23)21-24-10-5-11-25(19-24)27-17-18-29-28(30-27)12-6-9-22-13-15-26(32)16-14-22;1-2-31(20-23-13-15-28-18-23)19-22-6-3-7-24(17-22)26-14-16-29-27(30-26)8-4-5-21-9-11-25(32)12-10-21;1-2-30(23-13-15-27-18-23)19-21-6-3-7-22(17-21)25-14-16-28-26(29-25)8-4-5-20-9-11-24(31)12-10-20;1-18-16-27-12-13-30(18)17-20-8-9-23(26)22(15-20)24-10-11-28-25(29-24)7-3-5-19-4-2-6-21(31)14-19/h2,5-6,8-9,12-14,17,20,25-26,34H,3-4,7,10-11,15-16,18-19,21H2,1H3;3-4,7,9,11-12,14,16-18,24,29,33H,2,5-6,8,10,13,15,19-21H2,1H3;5,10-11,13-19,23,32H,2-4,6-9,12,20-21H2,1H3;3,6-7,9-12,14,16-17,23,28,32H,2,4-5,8,13,15,18-20H2,1H3;3,6-7,9-12,14,16-17,23,27,31H,2,4-5,8,13,15,18-19H2,1H3;2,4,6,8-11,14-15,18,27,31H,3,5,7,12-13,16-17H2,1H3/t;24-;;23-;;18-/m.0.0.0/s1.
What are the key properties of 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 2598.56 g/mol, XLogP of 28.59, 55 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclopropyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 159152236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).