4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C125H137F3N26O5 — CID 158671353

IUPAC4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1nccc2ccccc12.c1ccc(Cc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1
InChIInChI=1S/C27H29N5O.C26H28N6O.C25H28N6O.C24H26F3N5O.C23H26N4O/c1-20-19-28-27(31-26(20)30-25-10-6-8-21-7-2-3-9-24(21)25)29-22-11-13-23(14-12-22)33-18-17-32-15-4-5-16-32;1-19-18-28-26(31-24(19)30-25-23-7-3-2-6-20(23)12-13-27-25)29-21-8-10-22(11-9-21)33-17-16-32-14-4-5-15-32;1-18-17-27-25(30-24(18)29-23-6-4-5-22-21(23)11-12-26-22)28-19-7-9-20(10-8-19)32-16-15-31-13-2-3-14-31;1-17-16-28-23(31-22(17)29-20-6-4-5-18(15-20)24(25,26)27)30-19-7-9-21(10-8-19)33-14-13-32-11-2-3-12-32;1-2-6-19(7-3-1)18-21-12-13-24-23(26-21)25-20-8-10-22(11-9-20)28-17-16-27-14-4-5-15-27/h2-3,6-14,19H,4-5,15-18H2,1H3,(H2,28,29,30,31);2-3,6-13,18H,4-5,14-17H2,1H3,(H2,27,28,29,30,31);4-12,17,26H,2-3,13-16H2,1H3,(H2,27,28,29,30);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);1-3,6-13H,4-5,14-18H2,(H,24,25,26)
InChIKeyIDZKRKMLNXZARU-UHFFFAOYSA-N
MW2140.64 g/mol
LogP26.47
Rot. Bonds40

About 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 158671353) has the molecular formula C125H137F3N26O5 and a molecular weight of 2140.64 g/mol. Its IUPAC name is 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID158671353
Molecular FormulaC125H137F3N26O5
Molecular Weight2140.64 g/mol
Exact Mass2139.12
IUPAC Name4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1nccc2ccccc12.c1ccc(Cc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1
InChIInChI=1S/C27H29N5O.C26H28N6O.C25H28N6O.C24H26F3N5O.C23H26N4O/c1-20-19-28-27(31-26(20)30-25-10-6-8-21-7-2-3-9-24(21)25)29-22-11-13-23(14-12-22)33-18-17-32-15-4-5-16-32;1-19-18-28-26(31-24(19)30-25-23-7-3-2-6-20(23)12-13-27-25)29-21-8-10-22(11-9-21)33-17-16-32-14-4-5-15-32;1-18-17-27-25(30-24(18)29-23-6-4-5-22-21(23)11-12-26-22)28-19-7-9-20(10-8-19)32-16-15-31-13-2-3-14-31;1-17-16-28-23(31-22(17)29-20-6-4-5-18(15-20)24(25,26)27)30-19-7-9-21(10-8-19)33-14-13-32-11-2-3-12-32;1-2-6-19(7-3-1)18-21-12-13-24-23(26-21)25-20-8-10-22(11-9-20)28-17-16-27-14-4-5-15-27/h2-3,6-14,19H,4-5,15-18H2,1H3,(H2,28,29,30,31);2-3,6-13,18H,4-5,14-17H2,1H3,(H2,27,28,29,30,31);4-12,17,26H,2-3,13-16H2,1H3,(H2,27,28,29,30);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);1-3,6-13H,4-5,14-18H2,(H,24,25,26)
InChIKeyIDZKRKMLNXZARU-UHFFFAOYSA-N
XLogP26.47
TPSA328.20 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002140.64
LogP ≤ 526.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[4-[2-[3-[[4-(3-tert-butylanilino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methyl]pyrrolidin-1-yl]ethoxy]phenyl]-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine
CID 90786508
2-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-quinolin-5-ylpyrimidine-2,4-diamine;ethane;2-N-[4-[2-(ethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 145480004
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazol-4-yl]piperidin-4-amine;5-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-[1,3]dioxolo[4,5-c]pyridine;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]-1H-benzimidazole
CID 157301116
9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625
4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157675277
10-[2,5-Bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile
CID 158341768
9-(3-methyl-2-pyridinyl)-2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(3-methyl-2-pyridinyl)-2-[3-[(6-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(3-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(3-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;pentakis(platinum(2+))
CID 158543198
CID 158679920
CID 158679920
9-(3-methyl-2-pyridinyl)-2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(3-methyl-2-pyridinyl)-2-[3-[(6-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(3-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(3-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;hexakis(platinum(2+))
CID 159255156
N-[4-(difluoromethoxy)phenyl]-6-(2-methylindol-1-yl)pyrazin-2-amine;4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol
CID 159592155
CID 159766259
CID 159766259
9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-[5-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;hexakis(platinum(2+))
CID 159772759

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 158671353) is 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1nccc2ccccc12.c1ccc(Cc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1.
What is the InChIKey of 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is IDZKRKMLNXZARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O.C26H28N6O.C25H28N6O.C24H26F3N5O.C23H26N4O/c1-20-19-28-27(31-26(20)30-25-10-6-8-21-7-2-3-9-24(21)25)29-22-11-13-23(14-12-22)33-18-17-32-15-4-5-16-32;1-19-18-28-26(31-24(19)30-25-23-7-3-2-6-20(23)12-13-27-25)29-21-8-10-22(11-9-21)33-17-16-32-14-4-5-15-32;1-18-17-27-25(30-24(18)29-23-6-4-5-22-21(23)11-12-26-22)28-19-7-9-20(10-8-19)32-16-15-31-13-2-3-14-31;1-17-16-28-23(31-22(17)29-20-6-4-5-18(15-20)24(25,26)27)30-19-7-9-21(10-8-19)33-14-13-32-11-2-3-12-32;1-2-6-19(7-3-1)18-21-12-13-24-23(26-21)25-20-8-10-22(11-9-20)28-17-16-27-14-4-5-15-27/h2-3,6-14,19H,4-5,15-18H2,1H3,(H2,28,29,30,31);2-3,6-13,18H,4-5,14-17H2,1H3,(H2,27,28,29,30,31);4-12,17,26H,2-3,13-16H2,1H3,(H2,27,28,29,30);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);1-3,6-13H,4-5,14-18H2,(H,24,25,26).
What are the key properties of 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2140.64 g/mol, XLogP of 26.47, 40 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158671353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).