2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine

C25H30F4N8 — CID 159353894

IUPAC2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine
SMILESCCCc1cnc(C)cn1.Cc1cnc(C(F)(F)F)cn1.Cc1cnc(C)nc1.Cc1ncc(F)cn1
InChIInChI=1S/C8H12N2.C6H5F3N2.C6H8N2.C5H5FN2/c1-3-4-8-6-9-7(2)5-10-8;1-4-2-11-5(3-10-4)6(7,8)9;1-5-3-7-6(2)8-4-5;1-4-7-2-5(6)3-8-4/h5-6H,3-4H2,1-2H3;2-3H,1H3;3-4H,1-2H3;2-3H,1H3
InChIKeyLHRDDGDKSQWRKW-UHFFFAOYSA-N
MW518.56 g/mol
LogP5.56
Rot. Bonds2

About 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine

2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine (PubChem CID 159353894) has the molecular formula C25H30F4N8 and a molecular weight of 518.56 g/mol. Its IUPAC name is 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine
PubChem CID159353894
Molecular FormulaC25H30F4N8
Molecular Weight518.56 g/mol
Exact Mass518.25
IUPAC Name2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine
SMILESCCCc1cnc(C)cn1.Cc1cnc(C(F)(F)F)cn1.Cc1cnc(C)nc1.Cc1ncc(F)cn1
InChIInChI=1S/C8H12N2.C6H5F3N2.C6H8N2.C5H5FN2/c1-3-4-8-6-9-7(2)5-10-8;1-4-2-11-5(3-10-4)6(7,8)9;1-5-3-7-6(2)8-4-5;1-4-7-2-5(6)3-8-4/h5-6H,3-4H2,1-2H3;2-3H,1H3;3-4H,1-2H3;2-3H,1H3
InChIKeyLHRDDGDKSQWRKW-UHFFFAOYSA-N
XLogP5.56
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.56
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine (CID 159353894) is 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine is CCCc1cnc(C)cn1.Cc1cnc(C(F)(F)F)cn1.Cc1cnc(C)nc1.Cc1ncc(F)cn1.
What is the InChIKey of 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine?
The InChIKey is LHRDDGDKSQWRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C6H5F3N2.C6H8N2.C5H5FN2/c1-3-4-8-6-9-7(2)5-10-8;1-4-2-11-5(3-10-4)6(7,8)9;1-5-3-7-6(2)8-4-5;1-4-7-2-5(6)3-8-4/h5-6H,3-4H2,1-2H3;2-3H,1H3;3-4H,1-2H3;2-3H,1H3.
What are the key properties of 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine?
2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine has a molecular weight of 518.56 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrimidine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrazine;2-methyl-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 159353894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).