N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C93H131F6N25O9S2 — CID 160819238

IUPACN-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC(=O)N1CCC(Nc2nccc(C(C)C)n2)C1.CC(C)c1ccnc(NC2CCN(S(C)(=O)=O)C2)n1.CC(C)c1ccnc(NC[C@@H](C)NS(C)(=O)=O)n1.CC(C)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1.CO[C@@H](C)C(=O)N[C@H](C)CNc1nccc(C(C)C)n1.COc1ccc(CNc2nccc(C(C)C)n2)cc1
InChIInChI=1S/C15H19N3O.C14H14F3N3O.C14H14F3N3.C14H24N4O2.C13H20N4O.C12H20N4O2S.C11H20N4O2S/c1-11(2)14-8-9-16-15(18-14)17-10-12-4-6-13(19-3)7-5-12;1-9(2)12-6-7-18-13(20-12)19-10-4-3-5-11(8-10)21-14(15,16)17;1-9(2)12-7-8-18-13(20-12)19-11-5-3-10(4-6-11)14(15,16)17;1-9(2)12-6-7-15-14(18-12)16-8-10(3)17-13(19)11(4)20-5;1-9(2)12-4-6-14-13(16-12)15-11-5-7-17(8-11)10(3)18;1-9(2)11-4-6-13-12(15-11)14-10-5-7-16(8-10)19(3,17)18;1-8(2)10-5-6-12-11(14-10)13-7-9(3)15-18(4,16)17/h4-9,11H,10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18);4,6,9,11H,5,7-8H2,1-3H3,(H,14,15,16);4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15);5-6,8-9,15H,7H2,1-4H3,(H,12,13,14)/t;;;10-,11+;;;9-/m...1..1/s1
InChIKeySFHVSYVCUWSHOP-FGAQMYBKSA-N
MW1921.36 g/mol
LogP17.00
Rot. Bonds32

About N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 160819238) has the molecular formula C93H131F6N25O9S2 and a molecular weight of 1921.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID160819238
Molecular FormulaC93H131F6N25O9S2
Molecular Weight1921.36 g/mol
Exact Mass1919.99
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC(=O)N1CCC(Nc2nccc(C(C)C)n2)C1.CC(C)c1ccnc(NC2CCN(S(C)(=O)=O)C2)n1.CC(C)c1ccnc(NC[C@@H](C)NS(C)(=O)=O)n1.CC(C)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1.CO[C@@H](C)C(=O)N[C@H](C)CNc1nccc(C(C)C)n1.COc1ccc(CNc2nccc(C(C)C)n2)cc1
InChIInChI=1S/C15H19N3O.C14H14F3N3O.C14H14F3N3.C14H24N4O2.C13H20N4O.C12H20N4O2S.C11H20N4O2S/c1-11(2)14-8-9-16-15(18-14)17-10-12-4-6-13(19-3)7-5-12;1-9(2)12-6-7-18-13(20-12)19-10-4-3-5-11(8-10)21-14(15,16)17;1-9(2)12-7-8-18-13(20-12)19-11-5-3-10(4-6-11)14(15,16)17;1-9(2)12-6-7-15-14(18-12)16-8-10(3)17-13(19)11(4)20-5;1-9(2)12-4-6-14-13(16-12)15-11-5-7-17(8-11)10(3)18;1-9(2)11-4-6-13-12(15-11)14-10-5-7-16(8-10)19(3,17)18;1-8(2)10-5-6-12-11(14-10)13-7-9(3)15-18(4,16)17/h4-9,11H,10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18);4,6,9,11H,5,7-8H2,1-3H3,(H,14,15,16);4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15);5-6,8-9,15H,7H2,1-4H3,(H,12,13,14)/t;;;10-,11+;;;9-/m...1..1/s1
InChIKeySFHVSYVCUWSHOP-FGAQMYBKSA-N
XLogP17.00
TPSA425.32 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.36
LogP ≤ 517.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157333860
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157377566
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157658480
2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157795294
4-tert-butyl-2-(2-cyclohexylethyl)pyridine;6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;6-(3-tert-butylphenoxy)hexan-2-one;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158344466
3-Tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158358838
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158435120
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine
CID 158943256
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 159269696
N-[(1R,2S)-2-[[2-[4-(4-tert-butylpiperazin-1-yl)-2-methoxy-5-methylanilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexyl]-N-methylmethanesulfonamide;N-[(2S)-2-[[2-(5-ethyl-2-methoxy-4-piperazin-1-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentyl]-N-methylmethanesulfonamide;methane;N-[3-methoxy-4-[[4-[[(1S,2R)-2-[methyl(methylsulfonyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1-methylpiperidine-4-carboxamide
CID 159372274
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 159409896
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 159559552

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 160819238) is N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is CC(=O)N1CCC(Nc2nccc(C(C)C)n2)C1.CC(C)c1ccnc(NC2CCN(S(C)(=O)=O)C2)n1.CC(C)c1ccnc(NC[C@@H](C)NS(C)(=O)=O)n1.CC(C)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1.CO[C@@H](C)C(=O)N[C@H](C)CNc1nccc(C(C)C)n1.COc1ccc(CNc2nccc(C(C)C)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is SFHVSYVCUWSHOP-FGAQMYBKSA-N. The full InChI is InChI=1S/C15H19N3O.C14H14F3N3O.C14H14F3N3.C14H24N4O2.C13H20N4O.C12H20N4O2S.C11H20N4O2S/c1-11(2)14-8-9-16-15(18-14)17-10-12-4-6-13(19-3)7-5-12;1-9(2)12-6-7-18-13(20-12)19-10-4-3-5-11(8-10)21-14(15,16)17;1-9(2)12-7-8-18-13(20-12)19-11-5-3-10(4-6-11)14(15,16)17;1-9(2)12-6-7-15-14(18-12)16-8-10(3)17-13(19)11(4)20-5;1-9(2)12-4-6-14-13(16-12)15-11-5-7-17(8-11)10(3)18;1-9(2)11-4-6-13-12(15-11)14-10-5-7-16(8-10)19(3,17)18;1-8(2)10-5-6-12-11(14-10)13-7-9(3)15-18(4,16)17/h4-9,11H,10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18);4,6,9,11H,5,7-8H2,1-3H3,(H,14,15,16);4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15);5-6,8-9,15H,7H2,1-4H3,(H,12,13,14)/t;;;10-,11+;;;9-/m...1..1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 1921.36 g/mol, XLogP of 17.00, 32 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 160819238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).