N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C100H78ClF12N27O2 — CID 158124045

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.CCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.COc1ccc(Nc2ccnc(-n3c(C)nc4ccccc43)n2)cc1Cl.Cc1nc2ccccc2n1-c1nccc(Nc2ccc(C(F)(F)F)cc2)n1.FC(F)(F)c1nc2ccccn2c1-c1nccc(Nc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C21H14F3N7.C21H18F3N5.C20H16F3N5O.C19H16ClN5O.C19H14F3N5/c22-21(23,24)19-18(30-12-2-1-4-17(30)29-19)20-25-11-9-16(28-20)27-14-5-7-15(8-6-14)31-13-3-10-26-31;1-13(2)14-6-8-15(9-7-14)26-16-10-11-25-20(27-16)18-19(21(22,23)24)28-17-5-3-4-12-29(17)18;1-2-29-14-8-6-13(7-9-14)25-15-10-11-24-19(26-15)17-18(20(21,22)23)27-16-5-3-4-12-28(16)17;1-12-22-15-5-3-4-6-16(15)25(12)19-21-10-9-18(24-19)23-13-7-8-17(26-2)14(20)11-13;1-12-24-15-4-2-3-5-16(15)27(12)18-23-11-10-17(26-18)25-14-8-6-13(7-9-14)19(20,21)22/h1-13H,(H,25,27,28);3-13H,1-2H3,(H,25,26,27);3-12H,2H2,1H3,(H,24,25,26);3-11H,1-2H3,(H,21,23,24);2-11H,1H3,(H,23,25,26)
InChIKeyFRYDNHKALRCYNX-UHFFFAOYSA-N
MW1953.34 g/mol
LogP24.78
Rot. Bonds20

About N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 158124045) has the molecular formula C100H78ClF12N27O2 and a molecular weight of 1953.34 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID158124045
Molecular FormulaC100H78ClF12N27O2
Molecular Weight1953.34 g/mol
Exact Mass1951.63
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.CCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.COc1ccc(Nc2ccnc(-n3c(C)nc4ccccc43)n2)cc1Cl.Cc1nc2ccccc2n1-c1nccc(Nc2ccc(C(F)(F)F)cc2)n1.FC(F)(F)c1nc2ccccn2c1-c1nccc(Nc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C21H14F3N7.C21H18F3N5.C20H16F3N5O.C19H16ClN5O.C19H14F3N5/c22-21(23,24)19-18(30-12-2-1-4-17(30)29-19)20-25-11-9-16(28-20)27-14-5-7-15(8-6-14)31-13-3-10-26-31;1-13(2)14-6-8-15(9-7-14)26-16-10-11-25-20(27-16)18-19(21(22,23)24)28-17-5-3-4-12-29(17)18;1-2-29-14-8-6-13(7-9-14)25-15-10-11-24-19(26-15)17-18(20(21,22)23)27-16-5-3-4-12-28(16)17;1-12-22-15-5-3-4-6-16(15)25(12)19-21-10-9-18(24-19)23-13-7-8-17(26-2)14(20)11-13;1-12-24-15-4-2-3-5-16(15)27(12)18-23-11-10-17(26-18)25-14-8-6-13(7-9-14)19(20,21)22/h1-13H,(H,25,27,28);3-13H,1-2H3,(H,25,26,27);3-12H,2H2,1H3,(H,24,25,26);3-11H,1-2H3,(H,21,23,24);2-11H,1H3,(H,23,25,26)
InChIKeyFRYDNHKALRCYNX-UHFFFAOYSA-N
XLogP24.78
TPSA312.87 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.34
LogP ≤ 524.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643
N-[4-(difluoromethoxy)phenyl]-6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;5-N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazine-2,5-diamine;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157207523
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 157351487
N-(4-cyclopropylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyrazin-2-amine;6-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;6-(2-methylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157399078
6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157437117
N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;N-(4-methylsulfanylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 157463478
2-chloro-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-methoxy-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine
CID 157493840
4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157494669
N-(4-bromophenyl)-2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine;2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)pyrimidin-4-amine;2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 157555103

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 158124045) is N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is CC(C)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.CCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.COc1ccc(Nc2ccnc(-n3c(C)nc4ccccc43)n2)cc1Cl.Cc1nc2ccccc2n1-c1nccc(Nc2ccc(C(F)(F)F)cc2)n1.FC(F)(F)c1nc2ccccn2c1-c1nccc(Nc2ccc(-n3cccn3)cc2)n1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is FRYDNHKALRCYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7.C21H18F3N5.C20H16F3N5O.C19H16ClN5O.C19H14F3N5/c22-21(23,24)19-18(30-12-2-1-4-17(30)29-19)20-25-11-9-16(28-20)27-14-5-7-15(8-6-14)31-13-3-10-26-31;1-13(2)14-6-8-15(9-7-14)26-16-10-11-25-20(27-16)18-19(21(22,23)24)28-17-5-3-4-12-29(17)18;1-2-29-14-8-6-13(7-9-14)25-15-10-11-24-19(26-15)17-18(20(21,22)23)27-16-5-3-4-12-28(16)17;1-12-22-15-5-3-4-6-16(15)25(12)19-21-10-9-18(24-19)23-13-7-8-17(26-2)14(20)11-13;1-12-24-15-4-2-3-5-16(15)27(12)18-23-11-10-17(26-18)25-14-8-6-13(7-9-14)19(20,21)22/h1-13H,(H,25,27,28);3-13H,1-2H3,(H,25,26,27);3-12H,2H2,1H3,(H,24,25,26);3-11H,1-2H3,(H,21,23,24);2-11H,1H3,(H,23,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 1953.34 g/mol, XLogP of 24.78, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;N-(4-propan-2-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-pyrazol-1-ylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 158124045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).