2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine

C38H48F4N12 — CID 159228328

About 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine

2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine (PubChem CID 159228328) has the molecular formula C38H48F4N12 and a molecular weight of 748.88 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine
• PubChem CID: 159228328
• Molecular Formula: C38H48F4N12
• Molecular Weight: 748.88 g/mol
• Exact Mass: 748.41
• IUPAC Name: 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine
• SMILES: CCCc1cnc(C)nc1.CCc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1ncc(C(F)(F)F)cn1.Cc1ncc(F)cn1
• InChI: InChI=1S/C8H12N2.C7H10N2.C6H5F3N2.2C6H8N2.C5H5FN2/c1-3-4-8-5-9-7(2)10-6-8;1-3-7-5-8-6(2)4-9-7;1-4-10-2-5(3-11-4)6(7,8)9;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-4-7-2-5(6)3-8-4/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;2-3H,1H3;2*3-4H,1-2H3;2-3H,1H3
• InChIKey: KSONIXMPLMQHDX-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	748.88
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine?

The IUPAC name of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine (CID 159228328) is 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine?

The canonical SMILES for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine is CCCc1cnc(C)nc1.CCc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1ncc(C(F)(F)F)cn1.Cc1ncc(F)cn1.

What is the InChIKey of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine?

The InChIKey is KSONIXMPLMQHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H10N2.C6H5F3N2.2C6H8N2.C5H5FN2/c1-3-4-8-5-9-7(2)10-6-8;1-3-7-5-8-6(2)4-9-7;1-4-10-2-5(3-11-4)6(7,8)9;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-4-7-2-5(6)3-8-4/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;2-3H,1H3;2*3-4H,1-2H3;2-3H,1H3.

What are the key properties of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine?

2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 748.88 g/mol, XLogP of 8.00, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159228328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).