4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine

C104H118Cl3FN22O — CID 159926332

IUPAC4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine
SMILESCOc1cccc(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)c1.Cc1ccc(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1F.Cc1cccc(-c2cc(CC(C)Cn3cccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)c(Cl)c3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)cn3)nc(N)n2)c1C
InChIInChI=1S/C22H25FN4.C22H26N4O.C21H22Cl2N4.C20H22ClN5.C19H23N5/c1-14-6-4-8-18(16(14)3)20-13-21(27-22(24)26-20)25-11-5-7-17-10-9-15(2)19(23)12-17;1-15-7-4-11-19(16(15)2)20-14-21(26-22(23)25-20)24-12-6-9-17-8-5-10-18(13-17)27-3;1-13-5-3-7-16(14(13)2)19-12-20(27-21(24)26-19)25-10-4-6-15-8-9-17(22)18(23)11-15;1-13-5-3-7-17(14(13)2)18-11-19(26-20(22)25-18)23-10-4-6-16-9-8-15(21)12-24-16;1-13(12-24-9-5-8-21-24)10-16-11-18(23-19(20)22-16)17-7-4-6-14(2)15(17)3/h4,6,8-10,12-13H,5,7,11H2,1-3H3,(H3,24,25,26,27);4-5,7-8,10-11,13-14H,6,9,12H2,1-3H3,(H3,23,24,25,26);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H3,24,25,26,27);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H3,22,23,25,26);4-9,11,13H,10,12H2,1-3H3,(H2,20,22,23)
InChIKeyNZBBYVRINOOLNX-UHFFFAOYSA-N
MW1817.60 g/mol
LogP22.78
Rot. Bonds30

About 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine

4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine (PubChem CID 159926332) has the molecular formula C104H118Cl3FN22O and a molecular weight of 1817.60 g/mol. Its IUPAC name is 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine
PubChem CID159926332
Molecular FormulaC104H118Cl3FN22O
Molecular Weight1817.60 g/mol
Exact Mass1814.89
IUPAC Name4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine
SMILESCOc1cccc(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)c1.Cc1ccc(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1F.Cc1cccc(-c2cc(CC(C)Cn3cccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)c(Cl)c3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)cn3)nc(N)n2)c1C
InChIInChI=1S/C22H25FN4.C22H26N4O.C21H22Cl2N4.C20H22ClN5.C19H23N5/c1-14-6-4-8-18(16(14)3)20-13-21(27-22(24)26-20)25-11-5-7-17-10-9-15(2)19(23)12-17;1-15-7-4-11-19(16(15)2)20-14-21(26-22(23)25-20)24-12-6-9-17-8-5-10-18(13-17)27-3;1-13-5-3-7-16(14(13)2)19-12-20(27-21(24)26-19)25-10-4-6-15-8-9-17(22)18(23)11-15;1-13-5-3-7-17(14(13)2)18-11-19(26-20(22)25-18)23-10-4-6-16-9-8-15(21)12-24-16;1-13(12-24-9-5-8-21-24)10-16-11-18(23-19(20)22-16)17-7-4-6-14(2)15(17)3/h4,6,8-10,12-13H,5,7,11H2,1-3H3,(H3,24,25,26,27);4-5,7-8,10-11,13-14H,6,9,12H2,1-3H3,(H3,23,24,25,26);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H3,24,25,26,27);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H3,22,23,25,26);4-9,11,13H,10,12H2,1-3H3,(H2,20,22,23)
InChIKeyNZBBYVRINOOLNX-UHFFFAOYSA-N
XLogP22.78
TPSA347.06 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001817.60
LogP ≤ 522.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine with MolForge

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Related Compounds

5-(4-Chlorophenyl)-2-propan-2-ylpyridine;1,2-dichloro-4-propan-2-ylbenzene;5-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;5-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidine;5-(4-fluorophenyl)-2-propan-2-ylpyridine;5-(4-methylphenyl)-2-propan-2-ylpyridine;2-methyl-4-(6-propan-2-yl-3-pyridinyl)pyridine;1-phenoxy-4-propan-2-ylbenzene;4-propan-2-yl-1-[4-(trifluoromethyl)phenyl]imidazole;3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 157324956
CID 158112884
CID 158112884
1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158223644
tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158402779
1-Chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-(iodomethyl)-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yltriazine;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 161791232
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2,4-dichloro-1-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 162242396
2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-4-propan-2-ylpyridine;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);N-methyl-5-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-ylpyridine;pentakis(2-methyl-5-propan-2-ylpyridine);3-propan-2-ylaniline;3-propan-2-ylphenol;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine
CID 157579055
bis(2-chloro-1,4-dimethylbenzene);1-chloro-2,4,5-trimethylbenzene;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methylpyrrolidine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;toluene;1,2,4-trimethylbenzene;3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine;2,3,5-trimethylpyridine;1,4-xylene
CID 157677020
1-Chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 158312894
1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine);2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine
CID 158483672
3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine
CID 158984581
3-Chloro-1-fluoro-2,4,5-trimethylbenzene;1-chloro-2,3,5-trimethylbenzene;1-chloro-2,4,5-trimethylbenzene;2-chloro-1,3,4-trimethylbenzene;bis(1,3-difluoro-2,4,5-trimethylbenzene);bis(1,4-difluoro-2,3,5-trimethylbenzene);1-fluoro-2,4,5-trimethylbenzene;2-fluoro-1,3,4-trimethylbenzene;1-methoxy-2,4,5-trimethylbenzene;bis(2-methoxy-1,3,4-trimethylbenzene);1,2,3,4,5-pentamethylbenzene;bis(1,2,4-trimethylbenzene);2,3,5-trimethylpyridine;2,3,6-trimethylpyridine;bis(2,4,5-trimethylpyrimidine)
CID 159080396

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine (CID 159926332) is 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine is COc1cccc(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)c1.Cc1ccc(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1F.Cc1cccc(-c2cc(CC(C)Cn3cccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)c(Cl)c3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)cn3)nc(N)n2)c1C.
What is the InChIKey of 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is NZBBYVRINOOLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4.C22H26N4O.C21H22Cl2N4.C20H22ClN5.C19H23N5/c1-14-6-4-8-18(16(14)3)20-13-21(27-22(24)26-20)25-11-5-7-17-10-9-15(2)19(23)12-17;1-15-7-4-11-19(16(15)2)20-14-21(26-22(23)25-20)24-12-6-9-17-8-5-10-18(13-17)27-3;1-13-5-3-7-16(14(13)2)19-12-20(27-21(24)26-19)25-10-4-6-15-8-9-17(22)18(23)11-15;1-13-5-3-7-17(14(13)2)18-11-19(26-20(22)25-18)23-10-4-6-16-9-8-15(21)12-24-16;1-13(12-24-9-5-8-21-24)10-16-11-18(23-19(20)22-16)17-7-4-6-14(2)15(17)3/h4,6,8-10,12-13H,5,7,11H2,1-3H3,(H3,24,25,26,27);4-5,7-8,10-11,13-14H,6,9,12H2,1-3H3,(H3,23,24,25,26);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H3,24,25,26,27);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H3,22,23,25,26);4-9,11,13H,10,12H2,1-3H3,(H2,20,22,23).
What are the key properties of 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine?
4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 1817.60 g/mol, XLogP of 22.78, 30 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(5-chloro-2-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(3,4-dichlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-fluoro-4-methylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(3-methoxyphenyl)propyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2-methyl-3-pyrazol-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 159926332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).