2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine

C62H107N13OS — CID 161154393

IUPAC2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C6H9N3.5C6H8N2.C6H8O.C6H8S.7C2H6/c1-4-7-5(2)9-6(3)8-4;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-4-6(2)7-5;7*1-2/h1-3H3;5*3-4H,1-2H3;2*3-4H,1-2H3;7*1-2H3
InChIKeyUPCGSRGDQYNKGQ-UHFFFAOYSA-N
MW1082.69 g/mol
LogP17.71
Rot. Bonds

About 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine

2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 161154393) has the molecular formula C62H107N13OS and a molecular weight of 1082.69 g/mol. Its IUPAC name is 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
PubChem CID161154393
Molecular FormulaC62H107N13OS
Molecular Weight1082.69 g/mol
Exact Mass1081.84
IUPAC Name2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C6H9N3.5C6H8N2.C6H8O.C6H8S.7C2H6/c1-4-7-5(2)9-6(3)8-4;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-4-6(2)7-5;7*1-2/h1-3H3;5*3-4H,1-2H3;2*3-4H,1-2H3;7*1-2H3
InChIKeyUPCGSRGDQYNKGQ-UHFFFAOYSA-N
XLogP17.71
TPSA180.71 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.69
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine with MolForge

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Related Compounds

2,5-Dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine
CID 158001969
2,5-Dimethylfuran;2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,4-dimethylpyridazine;3,5-dimethylpyridazine;3,6-dimethylpyridazine;4,5-dimethylpyridazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;2,3,4,5-tetramethylpyridine;2,4,5,6-tetramethylpyrimidine;2,3,5-trimethylpyrazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyrimidine;2,4,6-trimethylpyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 158067061
5-(Furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-3-pyrimidin-2-yl-4-thiophen-2-ylpyridin-2-one
CID 141228406
2,5-Dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157089018
3,7-Dimethyl-1,2-dihydronaphthalene;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157185249
2,5-Dimethylfuran;2,7-dimethylphenanthrene;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157428980
2,5-Dimethylfuran;1,3-dimethylisoquinoline;2,7-dimethylphenanthrene;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157484231
2-Methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
CID 157633645
Benzene;ethane;furan;hexakis(2-methylpropane);pyrazine;pyridine;pyrimidine;thiophene
CID 157689464
2,5-Di(propan-2-yl)furan;2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);3,6-di(propan-2-yl)pyridazine;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)thiophene
CID 157973309
2,5-Dimethylfuran;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,5-dimethylthiophene;bis(2,4-dimethyl-1,3,5-triazine);ethane
CID 158235979
benzene;cyclopenta-1,3-diene;furan;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;thiophene
CID 158432846

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine (CID 161154393) is 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine is CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1.
What is the InChIKey of 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is UPCGSRGDQYNKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.5C6H8N2.C6H8O.C6H8S.7C2H6/c1-4-7-5(2)9-6(3)8-4;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-4-6(2)7-5;7*1-2/h1-3H3;5*3-4H,1-2H3;2*3-4H,1-2H3;7*1-2H3.
What are the key properties of 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine?
2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 1082.69 g/mol, XLogP of 17.71, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;2,5-dimethylpyrazine;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 161154393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).