1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine

C64H96N10 — CID 161209554

IUPAC1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)nc1C.Cc1nnc(C)c(C)c1C.Cc1nnc(C)c(C)c1C
InChIInChI=1S/C12H18.2C10H15N.4C8H12N2/c1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-6-7(2)9(4)11-10(5)8(6)3;1-5-6(2)10-8(4)7(3)9-5;1-5-6(2)9-8(4)10-7(5)3;2*1-5-6(2)8(4)10-9-7(5)3/h1-6H3;2*1-5H3;4*1-4H3
InChIKeyUWBAYRPBEALIAX-UHFFFAOYSA-N
MW1005.54 g/mol
LogP15.63
Rot. Bonds

About 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine

1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine (PubChem CID 161209554) has the molecular formula C64H96N10 and a molecular weight of 1005.54 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine
PubChem CID161209554
Molecular FormulaC64H96N10
Molecular Weight1005.54 g/mol
Exact Mass1004.78
IUPAC Name1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)nc1C.Cc1nnc(C)c(C)c1C.Cc1nnc(C)c(C)c1C
InChIInChI=1S/C12H18.2C10H15N.4C8H12N2/c1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-6-7(2)9(4)11-10(5)8(6)3;1-5-6(2)10-8(4)7(3)9-5;1-5-6(2)9-8(4)10-7(5)3;2*1-5-6(2)8(4)10-9-7(5)3/h1-6H3;2*1-5H3;4*1-4H3
InChIKeyUWBAYRPBEALIAX-UHFFFAOYSA-N
XLogP15.63
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.54
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine with MolForge

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Related Compounds

tris(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;tris(2,4,5,6-tetramethylpyrimidine)
CID 159315646
tris(2,3,4,5,6-pentamethylpyridine);tris(2,4,5,6-tetramethylpyrimidine)
CID 157180275
tris(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;tris(2,4,5,6-tetramethylpyrimidine);bis(2,3,4,5-tetramethylthiophene)
CID 162065658
1,2,3,4,5,6,7,8-octamethylnaphthalene;2,4,5,6-tetramethylpyrimidine
CID 91135840
2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
CID 159133858
1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)
CID 158125527
2,3,5,6-tetramethylpyrazine;trihydrate
CID 66732985
1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butyl-3,4,5,6-tetramethylpyridine;3-tert-butyl-2,4,5,6-tetramethylpyridine;4-tert-butyl-2,3,5,6-tetramethylpyridine;2-tert-butyl-3,5,6-trimethylpyrazine;4-tert-butyl-2,5,6-trimethylpyrimidine
CID 167657431
2,3,5-trimethyl-6-(4,5,6-trimethylpyrimidin-2-yl)pyrazine
CID 58250619
bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene
CID 161268994
tetrakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
CID 159228975
4-ethenyl-2,5,6-trimethylpyrimidine
CID 145409646

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine?
The IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine (CID 161209554) is 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine is Cc1c(C)c(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)nc1C.Cc1nnc(C)c(C)c1C.Cc1nnc(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine?
The InChIKey is UWBAYRPBEALIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.2C10H15N.4C8H12N2/c1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-6-7(2)9(4)11-10(5)8(6)3;1-5-6(2)10-8(4)7(3)9-5;1-5-6(2)9-8(4)10-7(5)3;2*1-5-6(2)8(4)10-9-7(5)3/h1-6H3;2*1-5H3;4*1-4H3.
What are the key properties of 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine?
1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine has a molecular weight of 1005.54 g/mol, XLogP of 15.63, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine is sourced from PubChem (CID 161209554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).