N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine

C115H113F16N27O2 — CID 158299826

IUPACN-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine
SMILESC=C(N)Cc1ncc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1.C=C(N)Cc1ncc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(C#N)cc3)c2F)cc1.COc1ccc(C2CCCN2c2ncnc(NCc3ccc(C)nc3)c2F)cc1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1
InChIInChI=1S/C25H23F3N4.C23H23F4N7.C23H22F4N6O.C22H21F4N5.C22H24FN5O/c1-25(27,28)20-11-9-19(10-12-20)22-3-2-14-32(22)24-23(26)21(30-16-31-24)13-8-17-4-6-18(15-29)7-5-17;1-14(28)9-19-29-10-15(11-30-19)12-31-21-20(24)22(33-13-32-21)34-8-2-3-18(34)16-4-6-17(7-5-16)23(25,26)27;1-14(28)9-19-29-10-15(11-30-19)12-34-22-20(24)21(31-13-32-22)33-8-2-3-18(33)16-4-6-17(7-5-16)23(25,26)27;1-14-4-5-15(11-27-14)12-28-20-19(23)21(30-13-29-20)31-10-2-3-18(31)16-6-8-17(9-7-16)22(24,25)26;1-15-5-6-16(12-24-15)13-25-21-20(23)22(27-14-26-21)28-11-3-4-19(28)17-7-9-18(29-2)10-8-17/h4-7,9-12,16,22H,2-3,8,13-14H2,1H3;4-7,10-11,13,18H,1-3,8-9,12,28H2,(H,31,32,33);4-7,10-11,13,18H,1-3,8-9,12,28H2;4-9,11,13,18H,2-3,10,12H2,1H3,(H,28,29,30);5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,25,26,27)
InChIKeyGMJCDNPIWZLPEE-UHFFFAOYSA-N
MW2209.32 g/mol
LogP24.05
Rot. Bonds31

About N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine

N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine (PubChem CID 158299826) has the molecular formula C115H113F16N27O2 and a molecular weight of 2209.32 g/mol. Its IUPAC name is N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine
PubChem CID158299826
Molecular FormulaC115H113F16N27O2
Molecular Weight2209.32 g/mol
Exact Mass2207.93
IUPAC NameN-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine
SMILESC=C(N)Cc1ncc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1.C=C(N)Cc1ncc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(C#N)cc3)c2F)cc1.COc1ccc(C2CCCN2c2ncnc(NCc3ccc(C)nc3)c2F)cc1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1
InChIInChI=1S/C25H23F3N4.C23H23F4N7.C23H22F4N6O.C22H21F4N5.C22H24FN5O/c1-25(27,28)20-11-9-19(10-12-20)22-3-2-14-32(22)24-23(26)21(30-16-31-24)13-8-17-4-6-18(15-29)7-5-17;1-14(28)9-19-29-10-15(11-30-19)12-31-21-20(24)22(33-13-32-21)34-8-2-3-18(34)16-4-6-17(7-5-16)23(25,26)27;1-14(28)9-19-29-10-15(11-30-19)12-34-22-20(24)21(31-13-32-22)33-8-2-3-18(33)16-4-6-17(7-5-16)23(25,26)27;1-14-4-5-15(11-27-14)12-28-20-19(23)21(30-13-29-20)31-10-2-3-18(31)16-6-8-17(9-7-16)22(24,25)26;1-15-5-6-16(12-24-15)13-25-21-20(23)22(27-14-26-21)28-11-3-4-19(28)17-7-9-18(29-2)10-8-17/h4-7,9-12,16,22H,2-3,8,13-14H2,1H3;4-7,10-11,13,18H,1-3,8-9,12,28H2,(H,31,32,33);4-7,10-11,13,18H,1-3,8-9,12,28H2;4-9,11,13,18H,2-3,10,12H2,1H3,(H,28,29,30);5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,25,26,27)
InChIKeyGMJCDNPIWZLPEE-UHFFFAOYSA-N
XLogP24.05
TPSA352.82 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.32
LogP ≤ 524.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine with MolForge

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Related Compounds

1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157071658
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 157296911
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 157455809
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157566454
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(6-phenylmethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157643541
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 157760688
6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 157881080
2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 158033314
2-[[(1R)-2-bicyclo[2.2.1]heptanyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(ethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(1-methylpiperidin-4-yl)amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(pyridin-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 158119132
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;methane
CID 158124834
2-anilino-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;tert-butyl 4-[[[5-cyano-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate;2-(cyclohexylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(2-phenylcyclopropyl)amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 158227531
12-[3-Ethoxy-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-methyl-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 158357061

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine?
The IUPAC name of N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine (CID 158299826) is N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine.
What is the SMILES notation for N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine?
The canonical SMILES for N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine is C=C(N)Cc1ncc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1.C=C(N)Cc1ncc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(C#N)cc3)c2F)cc1.COc1ccc(C2CCCN2c2ncnc(NCc3ccc(C)nc3)c2F)cc1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1.
What is the InChIKey of N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine?
The InChIKey is GMJCDNPIWZLPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4.C23H23F4N7.C23H22F4N6O.C22H21F4N5.C22H24FN5O/c1-25(27,28)20-11-9-19(10-12-20)22-3-2-14-32(22)24-23(26)21(30-16-31-24)13-8-17-4-6-18(15-29)7-5-17;1-14(28)9-19-29-10-15(11-30-19)12-31-21-20(24)22(33-13-32-21)34-8-2-3-18(34)16-4-6-17(7-5-16)23(25,26)27;1-14(28)9-19-29-10-15(11-30-19)12-34-22-20(24)21(31-13-32-22)33-8-2-3-18(33)16-4-6-17(7-5-16)23(25,26)27;1-14-4-5-15(11-27-14)12-28-20-19(23)21(30-13-29-20)31-10-2-3-18(31)16-6-8-17(9-7-16)22(24,25)26;1-15-5-6-16(12-24-15)13-25-21-20(23)22(27-14-26-21)28-11-3-4-19(28)17-7-9-18(29-2)10-8-17/h4-7,9-12,16,22H,2-3,8,13-14H2,1H3;4-7,10-11,13,18H,1-3,8-9,12,28H2,(H,31,32,33);4-7,10-11,13,18H,1-3,8-9,12,28H2;4-9,11,13,18H,2-3,10,12H2,1H3,(H,28,29,30);5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,25,26,27).
What are the key properties of N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine?
N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine has a molecular weight of 2209.32 g/mol, XLogP of 24.05, 31 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine is sourced from PubChem (CID 158299826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).