4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C150H164F6N32O8 — CID 160692097

IUPAC4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2c1OCO2.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1nccc2ccccc12
InChIInChI=1S/C27H29N5O.C26H28N6O.C25H28N6O.2C24H26F3N5O.C24H27N5O3/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)29-19-6-4-18(5-7-19)24(25,26)27)30-20-8-10-21(11-9-20)33-15-14-32-12-2-3-13-32;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;1-17-15-25-24(28-23(17)27-20-5-4-6-21-22(20)32-16-31-21)26-18-7-9-19(10-8-18)30-14-13-29-11-2-3-12-29/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);4-11,16H,2-3,12-15H2,1H3,(H2,28,29,30,31);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);4-10,15H,2-3,11-14,16H2,1H3,(H2,25,26,27,28)
InChIKeyRPNOPSDCNNFXAG-UHFFFAOYSA-N
MW2657.17 g/mol
LogP32.43
Rot. Bonds48

About 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 160692097) has the molecular formula C150H164F6N32O8 and a molecular weight of 2657.17 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID160692097
Molecular FormulaC150H164F6N32O8
Molecular Weight2657.17 g/mol
Exact Mass2655.33
IUPAC Name4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2c1OCO2.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1nccc2ccccc12
InChIInChI=1S/C27H29N5O.C26H28N6O.C25H28N6O.2C24H26F3N5O.C24H27N5O3/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)29-19-6-4-18(5-7-19)24(25,26)27)30-20-8-10-21(11-9-20)33-15-14-32-12-2-3-13-32;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;1-17-15-25-24(28-23(17)27-20-5-4-6-21-22(20)32-16-31-21)26-18-7-9-19(10-8-18)30-14-13-29-11-2-3-12-29/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);4-11,16H,2-3,12-15H2,1H3,(H2,28,29,30,31);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);4-10,15H,2-3,11-14,16H2,1H3,(H2,25,26,27,28)
InChIKeyRPNOPSDCNNFXAG-UHFFFAOYSA-N
XLogP32.43
TPSA421.00 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds48
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002657.17
LogP ≤ 532.43
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Analyze 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)pyrimidin-4-amine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 157235959
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
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
2-[[4-(1,3-benzodioxol-5-ylamino)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]ethanol;2-N-(1,3-benzodioxol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-3-yl-1,3,5-triazine-2,4-diamine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 158466051
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
tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159203453
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine
CID 159282190
6,7-dimethoxy-2-phenylquinazolin-4-amine;6,7-dimethoxy-2-phenyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline;N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-phenylquinazolin-4-amine;2-(1H-indol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine
CID 160317505
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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 161073797
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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 161693912
N-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-N-(1H-indol-3-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3R)-3-(3-methylbutyl)oxan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;(3S,4R)-4-[[(1R)-1-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]ethyl]amino]oxolan-3-ol
CID 163437670
N-cyclopent-2-en-1-yl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;(1S,2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-1-(dimethylamino)butan-1-ol;1-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]ethanol;1-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-2,2,2-trifluoroethanol
CID 163498919

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 160692097) is 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2c1OCO2.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1nccc2ccccc12.
What is the InChIKey of 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is RPNOPSDCNNFXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O.C26H28N6O.C25H28N6O.2C24H26F3N5O.C24H27N5O3/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)29-19-6-4-18(5-7-19)24(25,26)27)30-20-8-10-21(11-9-20)33-15-14-32-12-2-3-13-32;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;1-17-15-25-24(28-23(17)27-20-5-4-6-21-22(20)32-16-31-21)26-18-7-9-19(10-8-18)30-14-13-29-11-2-3-12-29/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);4-11,16H,2-3,12-15H2,1H3,(H2,28,29,30,31);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);4-10,15H,2-3,11-14,16H2,1H3,(H2,25,26,27,28).
What are the key properties of 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2657.17 g/mol, XLogP of 32.43, 48 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;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;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160692097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).