5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole

C73H67N11O — CID 163427590

IUPAC5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1cc(C)cc(-c2cnc(C)nc2)c1.Cc1ccc(-c2nc(C)nc(-c3ccc(C)cc3)n2)cc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3.C18H15N.C15H13N3.C13H14N2.C9H8N2O/c1-12-4-8-15(9-5-12)17-19-14(3)20-18(21-17)16-10-6-13(2)7-11-16;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-9-4-10(2)6-12(5-9)13-7-14-11(3)15-8-13;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h4-11H,1-3H3;2-13H,1H3;2-11H,1H3;4-8H,1-3H3;2-6H,1H3
InChIKeyANVWULCWCGXUIG-UHFFFAOYSA-N
MW1114.41 g/mol
LogP17.21
Rot. Bonds8

About 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole

5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 163427590) has the molecular formula C73H67N11O and a molecular weight of 1114.41 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole
PubChem CID163427590
Molecular FormulaC73H67N11O
Molecular Weight1114.41 g/mol
Exact Mass1113.55
IUPAC Name5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1cc(C)cc(-c2cnc(C)nc2)c1.Cc1ccc(-c2nc(C)nc(-c3ccc(C)cc3)n2)cc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3.C18H15N.C15H13N3.C13H14N2.C9H8N2O/c1-12-4-8-15(9-5-12)17-19-14(3)20-18(21-17)16-10-6-13(2)7-11-16;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-9-4-10(2)6-12(5-9)13-7-14-11(3)15-8-13;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h4-11H,1-3H3;2-13H,1H3;2-11H,1H3;4-8H,1-3H3;2-6H,1H3
InChIKeyANVWULCWCGXUIG-UHFFFAOYSA-N
XLogP17.21
TPSA146.97 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001114.41
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040560
N-[2-[4-[[4-[5-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 127041836
N-[5-[5-[4-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042113
N-[5-[5-[4-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042115
N-[5-[5-[4-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042116
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042288
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[4-(2-methyl-3-pyridinyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164613928
N-methyl-N-[[3-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164614228
US10112944, Example 16
CID 122540220
2-[3,5-Bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)
CID 161429827
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine
CID 162722147
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N,N-dimethylquinazolin-2-amine
CID 162722257

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole (CID 163427590) is 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole is Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1cc(C)cc(-c2cnc(C)nc2)c1.Cc1ccc(-c2nc(C)nc(-c3ccc(C)cc3)n2)cc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ANVWULCWCGXUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.C18H15N.C15H13N3.C13H14N2.C9H8N2O/c1-12-4-8-15(9-5-12)17-19-14(3)20-18(21-17)16-10-6-13(2)7-11-16;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-9-4-10(2)6-12(5-9)13-7-14-11(3)15-8-13;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h4-11H,1-3H3;2-13H,1H3;2-11H,1H3;4-8H,1-3H3;2-6H,1H3.
What are the key properties of 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole?
5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1114.41 g/mol, XLogP of 17.21, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 163427590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).