4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine

C190H245BrClF6N53O7 — CID 159400331

IUPAC4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1ccc(Cl)cn1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc(N)nc2nc[nH]c12.CC(C)c1ncc(Br)cn1.CC(C)c1ncc(C#N)c(N)n1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(Nc2ccn[nH]2)n1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccn1.CC(C)c1nccnc1C#N.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2c1ncn2C.COc1cc2c(C(C)C)ncnc2c(OC)c1OC.COc1cc2nc(C(C)C)nc(N)c2cc1OC.COc1ccc2c(C(C)C)ncnc2c1OC.Cc1cc(N(C)C)nc(C(C)C)n1.Cc1cnc(C)c(C(C)C)n1.Cc1nc(N)cc(C(C)C)n1.Cc1nnc(C(C)C)c2ccccc12
InChIInChI=1S/C14H18N2O3.C13H17N3O2.C13H16N2O2.C12H14N2.C11H12N2.C10H13N5.C10H17N3.C9H10F3N.C9H12N4.C9H11N3.C9H14N2.C9H10N2.C8H10ClN.C8H9F3N2.C8H11N5.C8H10N4.C8H13N3.C8H9N3.C7H9BrN2.C7H10N2/c1-8(2)11-9-6-10(17-3)13(18-4)14(19-5)12(9)16-7-15-11;1-7(2)13-15-9-6-11(18-4)10(17-3)5-8(9)12(14)16-13;1-8(2)11-9-5-6-10(16-3)13(17-4)12(9)15-7-14-11;1-8(2)12-11-7-5-4-6-10(11)9(3)13-14-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-11-5-3-8(14-10)13-9-4-6-12-15-9;1-7(2)10-11-8(3)6-9(12-10)13(4)5;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)9-8(4)10-5-7(3)11-9;1-7(2)9-8(6-10)4-3-5-11-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-4(2)5-6-7(11-3-10-6)13-8(9)12-5;1-5(2)8-11-4-6(3-9)7(10)12-8;1-5(2)7-4-8(9)11-6(3)10-7;1-6(2)8-7(5-9)10-3-4-11-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7/h6-8H,1-5H3;5-7H,1-4H3,(H2,14,15,16);5-8H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H2,11,12,13,14,15);6-7H,1-5H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H,10,11,12);5-6H,1-4H3;3-5,7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3,(H3,9,10,11,12,13);4-5H,1-2H3,(H2,10,11,12);4-5H,1-3H3,(H2,9,10,11);3-4,6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyLNGISRKQGJZWIK-UHFFFAOYSA-N
MW3612.76 g/mol
LogP43.36
Rot. Bonds30

About 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine

4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 159400331) has the molecular formula C190H245BrClF6N53O7 and a molecular weight of 3612.76 g/mol. Its IUPAC name is 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID159400331
Molecular FormulaC190H245BrClF6N53O7
Molecular Weight3612.76 g/mol
Exact Mass3608.92
IUPAC Name4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1ccc(Cl)cn1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc(N)nc2nc[nH]c12.CC(C)c1ncc(Br)cn1.CC(C)c1ncc(C#N)c(N)n1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(Nc2ccn[nH]2)n1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccn1.CC(C)c1nccnc1C#N.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2c1ncn2C.COc1cc2c(C(C)C)ncnc2c(OC)c1OC.COc1cc2nc(C(C)C)nc(N)c2cc1OC.COc1ccc2c(C(C)C)ncnc2c1OC.Cc1cc(N(C)C)nc(C(C)C)n1.Cc1cnc(C)c(C(C)C)n1.Cc1nc(N)cc(C(C)C)n1.Cc1nnc(C(C)C)c2ccccc12
InChIInChI=1S/C14H18N2O3.C13H17N3O2.C13H16N2O2.C12H14N2.C11H12N2.C10H13N5.C10H17N3.C9H10F3N.C9H12N4.C9H11N3.C9H14N2.C9H10N2.C8H10ClN.C8H9F3N2.C8H11N5.C8H10N4.C8H13N3.C8H9N3.C7H9BrN2.C7H10N2/c1-8(2)11-9-6-10(17-3)13(18-4)14(19-5)12(9)16-7-15-11;1-7(2)13-15-9-6-11(18-4)10(17-3)5-8(9)12(14)16-13;1-8(2)11-9-5-6-10(16-3)13(17-4)12(9)15-7-14-11;1-8(2)12-11-7-5-4-6-10(11)9(3)13-14-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-11-5-3-8(14-10)13-9-4-6-12-15-9;1-7(2)10-11-8(3)6-9(12-10)13(4)5;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)9-8(4)10-5-7(3)11-9;1-7(2)9-8(6-10)4-3-5-11-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-4(2)5-6-7(11-3-10-6)13-8(9)12-5;1-5(2)8-11-4-6(3-9)7(10)12-8;1-5(2)7-4-8(9)11-6(3)10-7;1-6(2)8-7(5-9)10-3-4-11-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7/h6-8H,1-5H3;5-7H,1-4H3,(H2,14,15,16);5-8H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H2,11,12,13,14,15);6-7H,1-5H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H,10,11,12);5-6H,1-4H3;3-5,7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3,(H3,9,10,11,12,13);4-5H,1-2H3,(H2,10,11,12);4-5H,1-3H3,(H2,9,10,11);3-4,6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyLNGISRKQGJZWIK-UHFFFAOYSA-N
XLogP43.36
TPSA823.23 Ų
H-Bond Donors8
H-Bond Acceptors57
Rotatable Bonds30
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003612.76
LogP ≤ 543.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1057

Analyze 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-3-propan-2-ylquinoxalin-1-ium-1-amine;2,5-dimethyl-3-propan-2-ylpyrazine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;bis(2-propan-2-yl-4-(trifluoromethyl)pyrimidine);N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine
CID 157694412
4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylphthalazine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;6,7,8-trimethoxy-4-propan-2-ylquinazoline
CID 159691727
7-Chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;6-chloro-4-propan-2-ylpyrrolo[1,2-b]pyridazine;6,8-dimethoxy-4-propan-2-ylcinnoline;5,6-dimethoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-fluoro-3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;7-methoxy-5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyridine;7-methoxy-6-methyl-3-propan-2-ylpyrazolo[1,5-a]pyridine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;bis(7-methoxy-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-7,8-dihydro-[1,4]dioxino[2,3-g]cinnoline
CID 165031947

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine (CID 159400331) is 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1ccc(Cl)cn1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc(N)nc2nc[nH]c12.CC(C)c1ncc(Br)cn1.CC(C)c1ncc(C#N)c(N)n1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(Nc2ccn[nH]2)n1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccn1.CC(C)c1nccnc1C#N.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2c1ncn2C.COc1cc2c(C(C)C)ncnc2c(OC)c1OC.COc1cc2nc(C(C)C)nc(N)c2cc1OC.COc1ccc2c(C(C)C)ncnc2c1OC.Cc1cc(N(C)C)nc(C(C)C)n1.Cc1cnc(C)c(C(C)C)n1.Cc1nc(N)cc(C(C)C)n1.Cc1nnc(C(C)C)c2ccccc12.
What is the InChIKey of 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LNGISRKQGJZWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.C13H17N3O2.C13H16N2O2.C12H14N2.C11H12N2.C10H13N5.C10H17N3.C9H10F3N.C9H12N4.C9H11N3.C9H14N2.C9H10N2.C8H10ClN.C8H9F3N2.C8H11N5.C8H10N4.C8H13N3.C8H9N3.C7H9BrN2.C7H10N2/c1-8(2)11-9-6-10(17-3)13(18-4)14(19-5)12(9)16-7-15-11;1-7(2)13-15-9-6-11(18-4)10(17-3)5-8(9)12(14)16-13;1-8(2)11-9-5-6-10(16-3)13(17-4)12(9)15-7-14-11;1-8(2)12-11-7-5-4-6-10(11)9(3)13-14-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-11-5-3-8(14-10)13-9-4-6-12-15-9;1-7(2)10-11-8(3)6-9(12-10)13(4)5;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)9-8(4)10-5-7(3)11-9;1-7(2)9-8(6-10)4-3-5-11-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-4(2)5-6-7(11-3-10-6)13-8(9)12-5;1-5(2)8-11-4-6(3-9)7(10)12-8;1-5(2)7-4-8(9)11-6(3)10-7;1-6(2)8-7(5-9)10-3-4-11-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7/h6-8H,1-5H3;5-7H,1-4H3,(H2,14,15,16);5-8H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H2,11,12,13,14,15);6-7H,1-5H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H,10,11,12);5-6H,1-4H3;3-5,7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3,(H3,9,10,11,12,13);4-5H,1-2H3,(H2,10,11,12);4-5H,1-3H3,(H2,9,10,11);3-4,6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine?
4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 3612.76 g/mol, XLogP of 43.36, 30 rotatable bonds, 8 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylphthalazine;9-methyl-6-propan-2-ylpurine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;6,7,8-trimethoxy-4-propan-2-ylquinazoline;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 159400331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).