N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine

C151H180F10N30O3S — CID 158619525

IUPACN-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
SMILESCCN(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1)C[C@@H]1CCNC1.COc1ccc(CCNc2nccc(-c3cc(CN4C[C@@H](C)NC[C@@H]4C)ccc3F)n2)cc1O.COc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/2C26H31F2N5.C26H32FN5O2.C25H29F2N5O.C24H26F3N5.C24H31N5S/c1-2-33(18-24-7-4-10-29-24)17-20-5-3-6-21(13-20)25-9-12-31-26(32-25)30-11-8-19-14-22(27)16-23(28)15-19;1-2-33(18-21-6-9-29-16-21)17-20-4-3-5-22(12-20)25-8-11-31-26(32-25)30-10-7-19-13-23(27)15-24(28)14-19;1-17-15-32(18(2)14-30-17)16-20-4-6-22(27)21(12-20)23-9-11-29-26(31-23)28-10-8-19-5-7-25(34-3)24(33)13-19;1-17-15-28-9-10-32(17)16-19-3-4-24(33-2)22(13-19)23-6-8-30-25(31-23)29-7-5-18-11-20(26)14-21(27)12-18;1-16-14-28-8-9-32(16)15-18-2-3-22(27)21(12-18)23-5-7-30-24(31-23)29-6-4-17-10-19(25)13-20(26)11-17;1-2-29(18-20-8-11-25-16-20)17-19-5-3-6-21(15-19)23-10-13-27-24(28-23)26-12-9-22-7-4-14-30-22/h3,5-6,9,12-16,24,29H,2,4,7-8,10-11,17-18H2,1H3,(H,30,31,32);3-5,8,11-15,21,29H,2,6-7,9-10,16-18H2,1H3,(H,30,31,32);4-7,9,11-13,17-18,30,33H,8,10,14-16H2,1-3H3,(H,28,29,31);3-4,6,8,11-14,17,28H,5,7,9-10,15-16H2,1-2H3,(H,29,30,31);2-3,5,7,10-13,16,28H,4,6,8-9,14-15H2,1H3,(H,29,30,31);3-7,10,13-15,20,25H,2,8-9,11-12,16-18H2,1H3,(H,26,27,28)/t24-;21-;17-,18+;17-;16-;20-/m001001/s1
InChIKeyHXVANSAZECIHQF-SBTZQCIESA-N
MW2685.35 g/mol
LogP25.17
Rot. Bonds53

About N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine

N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine (PubChem CID 158619525) has the molecular formula C151H180F10N30O3S and a molecular weight of 2685.35 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
PubChem CID158619525
Molecular FormulaC151H180F10N30O3S
Molecular Weight2685.35 g/mol
Exact Mass2683.44
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
SMILESCCN(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1)C[C@@H]1CCNC1.COc1ccc(CCNc2nccc(-c3cc(CN4C[C@@H](C)NC[C@@H]4C)ccc3F)n2)cc1O.COc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/2C26H31F2N5.C26H32FN5O2.C25H29F2N5O.C24H26F3N5.C24H31N5S/c1-2-33(18-24-7-4-10-29-24)17-20-5-3-6-21(13-20)25-9-12-31-26(32-25)30-11-8-19-14-22(27)16-23(28)15-19;1-2-33(18-21-6-9-29-16-21)17-20-4-3-5-22(12-20)25-8-11-31-26(32-25)30-10-7-19-13-23(27)15-24(28)14-19;1-17-15-32(18(2)14-30-17)16-20-4-6-22(27)21(12-20)23-9-11-29-26(31-23)28-10-8-19-5-7-25(34-3)24(33)13-19;1-17-15-28-9-10-32(17)16-19-3-4-24(33-2)22(13-19)23-6-8-30-25(31-23)29-7-5-18-11-20(26)14-21(27)12-18;1-16-14-28-8-9-32(16)15-18-2-3-22(27)21(12-18)23-5-7-30-24(31-23)29-6-4-17-10-19(25)13-20(26)11-17;1-2-29(18-20-8-11-25-16-20)17-19-5-3-6-21(15-19)23-10-13-27-24(28-23)26-12-9-22-7-4-14-30-22/h3,5-6,9,12-16,24,29H,2,4,7-8,10-11,17-18H2,1H3,(H,30,31,32);3-5,8,11-15,21,29H,2,6-7,9-10,16-18H2,1H3,(H,30,31,32);4-7,9,11-13,17-18,30,33H,8,10,14-16H2,1-3H3,(H,28,29,31);3-4,6,8,11-14,17,28H,5,7,9-10,15-16H2,1-2H3,(H,29,30,31);2-3,5,7,10-13,16,28H,4,6,8-9,14-15H2,1H3,(H,29,30,31);3-7,10,13-15,20,25H,2,8-9,11-12,16-18H2,1H3,(H,26,27,28)/t24-;21-;17-,18+;17-;16-;20-/m001001/s1
InChIKeyHXVANSAZECIHQF-SBTZQCIESA-N
XLogP25.17
TPSA357.17 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds53
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002685.35
LogP ≤ 525.17
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Analyze N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine with MolForge

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Related Compounds

[3-[2-(Cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methylsulfanylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 157069586
5-(3-Methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methoxyphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine
CID 157215508
(16Z)-22-fluoro-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-22-fluoro-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-22-methoxy-11-(4-methylpiperazin-1-yl)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-11-(4-methylpiperazin-1-yl)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene;(9E)-15-(2-pyrrolidin-1-ylethoxy)-7,12-dioxa-26-thia-19,21,24-triazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
CID 157295867
2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 157549522
2-[3-(3,5-difluorophenyl)propyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine;5-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;5-[3-[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;3-[3-[4-[3-[[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidin-2-yl]propyl]phenol
CID 157678792
4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 158390741
CID 158531359
CID 158531359
CID 158612191
CID 158612191
2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 159570767
5-(3-Methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]-2-pyridin-4-ylpyrimidine;4-methyl-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol;5-(3-methylphenyl)-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine;5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine
CID 160852516
(16Z)-22-fluoro-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-22-fluoro-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-22-methoxy-11-(4-methylpiperazin-1-yl)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-3-methyl-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene;(9E)-15-(2-pyrrolidin-1-ylethoxy)-7,12-dioxa-26-thia-19,21,24-triazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
CID 161023508
CID 161677172
CID 161677172

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine (CID 158619525) is N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine is CCN(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@H]1CCNC1.CCN(Cc1cccc(-c2ccnc(NCCc3cccs3)n2)c1)C[C@@H]1CCNC1.COc1ccc(CCNc2nccc(-c3cc(CN4C[C@@H](C)NC[C@@H]4C)ccc3F)n2)cc1O.COc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.C[C@H]1CNCCN1Cc1ccc(F)c(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine?
The InChIKey is HXVANSAZECIHQF-SBTZQCIESA-N. The full InChI is InChI=1S/2C26H31F2N5.C26H32FN5O2.C25H29F2N5O.C24H26F3N5.C24H31N5S/c1-2-33(18-24-7-4-10-29-24)17-20-5-3-6-21(13-20)25-9-12-31-26(32-25)30-11-8-19-14-22(27)16-23(28)15-19;1-2-33(18-21-6-9-29-16-21)17-20-4-3-5-22(12-20)25-8-11-31-26(32-25)30-10-7-19-13-23(27)15-24(28)14-19;1-17-15-32(18(2)14-30-17)16-20-4-6-22(27)21(12-20)23-9-11-29-26(31-23)28-10-8-19-5-7-25(34-3)24(33)13-19;1-17-15-28-9-10-32(17)16-19-3-4-24(33-2)22(13-19)23-6-8-30-25(31-23)29-7-5-18-11-20(26)14-21(27)12-18;1-16-14-28-8-9-32(16)15-18-2-3-22(27)21(12-18)23-5-7-30-24(31-23)29-6-4-17-10-19(25)13-20(26)11-17;1-2-29(18-20-8-11-25-16-20)17-19-5-3-6-21(15-19)23-10-13-27-24(28-23)26-12-9-22-7-4-14-30-22/h3,5-6,9,12-16,24,29H,2,4,7-8,10-11,17-18H2,1H3,(H,30,31,32);3-5,8,11-15,21,29H,2,6-7,9-10,16-18H2,1H3,(H,30,31,32);4-7,9,11-13,17-18,30,33H,8,10,14-16H2,1-3H3,(H,28,29,31);3-4,6,8,11-14,17,28H,5,7,9-10,15-16H2,1-2H3,(H,29,30,31);2-3,5,7,10-13,16,28H,4,6,8-9,14-15H2,1H3,(H,29,30,31);3-7,10,13-15,20,25H,2,8-9,11-12,16-18H2,1H3,(H,26,27,28)/t24-;21-;17-,18+;17-;16-;20-/m001001/s1.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine?
N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine has a molecular weight of 2685.35 g/mol, XLogP of 25.17, 53 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol;4-[3-[[ethyl-[[(3R)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 158619525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).