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

C94H152N16OS — CID 158235979

About 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

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 (PubChem CID 158235979) has the molecular formula C94H152N16OS and a molecular weight of 1554.43 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158235979
• Molecular Formula: C94H152N16OS
• Molecular Weight: 1554.43 g/mol
• Exact Mass: 1553.21
• IUPAC Name: 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
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)c2ccccc2n1.Cc1ncnc(C)n1.Cc1ncnc(C)n1
• InChI: InChI=1S/C16H14.C10H10N2.4C6H8N2.C6H8O.C6H8S.2C5H7N3.11C2H6/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-7-9-5-3-4-6-10(9)12-8(2)11-7;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;1-5-3-4-7-6(2)8-5;2*1-5-3-4-6(2)7-5;2*1-4-6-3-7-5(2)8-4;11*1-2/h3-10H,1-2H3;3-6H,1-2H3;4*3-4H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3;11*1-2H3
• InChIKey: GEYSZVWDOZNWCR-UHFFFAOYSA-N
• XLogP: 27.76
• TPSA: 219.38 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1554.43
LogP ≤ 5	27.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)c2ccccc2n1.Cc1ncnc(C)n1.Cc1ncnc(C)n1.

What is the InChIKey of 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?

The InChIKey is GEYSZVWDOZNWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C10H10N2.4C6H8N2.C6H8O.C6H8S.2C5H7N3.11C2H6/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-7-9-5-3-4-6-10(9)12-8(2)11-7;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;1-5-3-4-7-6(2)8-5;2*1-5-3-4-6(2)7-5;2*1-4-6-3-7-5(2)8-4;11*1-2/h3-10H,1-2H3;3-6H,1-2H3;4*3-4H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3;11*1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1554.43 g/mol, XLogP of 27.76, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158235979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).