2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine

C20H32N4 — CID 118855882

IUPAC2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine
SMILESCCCCc1nc(C)cnc1C.CCCCc1ncc(C)nc1C
InChIInChI=1S/2C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10;1-4-5-6-10-9(3)11-7-8(2)12-10/h2*7H,4-6H2,1-3H3
InChIKeyCULICICRMHBQLQ-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.87
Rot. Bonds6

About 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine

2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine (PubChem CID 118855882) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine.

Molecular Properties

Compound Name2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine
PubChem CID118855882
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine
SMILESCCCCc1nc(C)cnc1C.CCCCc1ncc(C)nc1C
InChIInChI=1S/2C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10;1-4-5-6-10-9(3)11-7-8(2)12-10/h2*7H,4-6H2,1-3H3
InChIKeyCULICICRMHBQLQ-UHFFFAOYSA-N
XLogP4.87
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine?
The IUPAC name of 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine (CID 118855882) is 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine.
What is the SMILES notation for 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine?
The canonical SMILES for 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine is CCCCc1nc(C)cnc1C.CCCCc1ncc(C)nc1C.
What is the InChIKey of 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine?
The InChIKey is CULICICRMHBQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10;1-4-5-6-10-9(3)11-7-8(2)12-10/h2*7H,4-6H2,1-3H3.
What are the key properties of 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine?
2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine has a molecular weight of 328.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,5-dimethylpyrazine;3-butyl-2,5-dimethylpyrazine is sourced from PubChem (CID 118855882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).