8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine

C110H169N23O2S2 — CID 159587109

IUPAC8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC(C)c1nc(C(C)C)c2ccccc2n1.CC(C)c1nc(C(C)C)c2ccn(C)c2n1.CC(C)c1nc(C(C)C)c2ccoc2n1.CC(C)c1nc(C(C)C)c2ccsc2n1.CC(C)c1nc(C(C)C)c2nccnc2n1.Cc1nc2c(C(C)C)nc(C(C)C)nc2n1C.Cc1nc2c(C(C)C)nc(C(C)C)nc2o1.Cc1nc2c(C(C)C)nc(C(C)C)nc2s1
InChIInChI=1S/C14H18N2.C13H20N4.C13H19N3.C12H16N4.C12H17N3O.C12H17N3S.C12H16N2O.C12H16N2S.5C2H6/c1-9(2)13-11-7-5-6-8-12(11)15-14(16-13)10(3)4;1-7(2)10-11-13(17(6)9(5)14-11)16-12(15-10)8(3)4;1-8(2)11-10-6-7-16(5)13(10)15-12(14-11)9(3)4;1-7(2)9-10-12(14-6-5-13-10)16-11(15-9)8(3)4;2*1-6(2)9-10-12(16-8(5)13-10)15-11(14-9)7(3)4;2*1-7(2)10-9-5-6-15-12(9)14-11(13-10)8(3)4;5*1-2/h5-10H,1-4H3;7-8H,1-6H3;6-9H,1-5H3;5-8H,1-4H3;2*6-7H,1-5H3;2*5-8H,1-4H3;5*1-2H3
InChIKeyMJTKETUQXWGDQC-UHFFFAOYSA-N
MW1909.85 g/mol
LogP32.03
Rot. Bonds16

About 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine

8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 159587109) has the molecular formula C110H169N23O2S2 and a molecular weight of 1909.85 g/mol. Its IUPAC name is 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID159587109
Molecular FormulaC110H169N23O2S2
Molecular Weight1909.85 g/mol
Exact Mass1908.33
IUPAC Name8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC(C)c1nc(C(C)C)c2ccccc2n1.CC(C)c1nc(C(C)C)c2ccn(C)c2n1.CC(C)c1nc(C(C)C)c2ccoc2n1.CC(C)c1nc(C(C)C)c2ccsc2n1.CC(C)c1nc(C(C)C)c2nccnc2n1.Cc1nc2c(C(C)C)nc(C(C)C)nc2n1C.Cc1nc2c(C(C)C)nc(C(C)C)nc2o1.Cc1nc2c(C(C)C)nc(C(C)C)nc2s1
InChIInChI=1S/C14H18N2.C13H20N4.C13H19N3.C12H16N4.C12H17N3O.C12H17N3S.C12H16N2O.C12H16N2S.5C2H6/c1-9(2)13-11-7-5-6-8-12(11)15-14(16-13)10(3)4;1-7(2)10-11-13(17(6)9(5)14-11)16-12(15-10)8(3)4;1-8(2)11-10-6-7-16(5)13(10)15-12(14-11)9(3)4;1-7(2)9-10-12(14-6-5-13-10)16-11(15-9)8(3)4;2*1-6(2)9-10-12(16-8(5)13-10)15-11(14-9)7(3)4;2*1-7(2)10-9-5-6-15-12(9)14-11(13-10)8(3)4;5*1-2/h5-10H,1-4H3;7-8H,1-6H3;6-9H,1-5H3;5-8H,1-4H3;2*6-7H,1-5H3;2*5-8H,1-4H3;5*1-2H3
InChIKeyMJTKETUQXWGDQC-UHFFFAOYSA-N
XLogP32.03
TPSA306.83 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001909.85
LogP ≤ 532.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine 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

1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole;N-(pyridin-4-ylmethyl)-2-[8-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 67992269
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
4-[12-[[2-[4-[12-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]indol-1-yl]-1-oxo-1,4-thiazinan-4-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-1,3-dihydroindol-2-one
CID 126620995
4-[13-(8-Thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 138721896
4-[13-(3,8,10,12-Tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)-8-thia-3,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721914
12-(8-Oxa-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-11-yl)-4-(8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721915

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine (CID 159587109) is 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine is CC.CC.CC.CC.CC.CC(C)c1nc(C(C)C)c2ccccc2n1.CC(C)c1nc(C(C)C)c2ccn(C)c2n1.CC(C)c1nc(C(C)C)c2ccoc2n1.CC(C)c1nc(C(C)C)c2ccsc2n1.CC(C)c1nc(C(C)C)c2nccnc2n1.Cc1nc2c(C(C)C)nc(C(C)C)nc2n1C.Cc1nc2c(C(C)C)nc(C(C)C)nc2o1.Cc1nc2c(C(C)C)nc(C(C)C)nc2s1.
What is the InChIKey of 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is MJTKETUQXWGDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C13H20N4.C13H19N3.C12H16N4.C12H17N3O.C12H17N3S.C12H16N2O.C12H16N2S.5C2H6/c1-9(2)13-11-7-5-6-8-12(11)15-14(16-13)10(3)4;1-7(2)10-11-13(17(6)9(5)14-11)16-12(15-10)8(3)4;1-8(2)11-10-6-7-16(5)13(10)15-12(14-11)9(3)4;1-7(2)9-10-12(14-6-5-13-10)16-11(15-9)8(3)4;2*1-6(2)9-10-12(16-8(5)13-10)15-11(14-9)7(3)4;2*1-7(2)10-9-5-6-15-12(9)14-11(13-10)8(3)4;5*1-2/h5-10H,1-4H3;7-8H,1-6H3;6-9H,1-5H3;5-8H,1-4H3;2*6-7H,1-5H3;2*5-8H,1-4H3;5*1-2H3.
What are the key properties of 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 1909.85 g/mol, XLogP of 32.03, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 159587109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).