1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine

C22H29FN4 — CID 159901278

IUPAC1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine
SMILESCCc1ccccc1F.CCc1cncc(C)n1.CCc1nccc(C)n1
InChIInChI=1S/C8H9F.2C7H10N2/c1-2-7-5-3-4-6-8(7)9;1-3-7-5-8-4-6(2)9-7;1-3-7-8-5-4-6(2)9-7/h3-6H,2H2,1H3;2*4-5H,3H2,1-2H3
InChIKeyNVZIUZTZCJMERB-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.08
Rot. Bonds3

About 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine

1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine (PubChem CID 159901278) has the molecular formula C22H29FN4 and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine.

Molecular Properties

Compound Name1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine
PubChem CID159901278
Molecular FormulaC22H29FN4
Molecular Weight368.50 g/mol
Exact Mass368.24
IUPAC Name1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine
SMILESCCc1ccccc1F.CCc1cncc(C)n1.CCc1nccc(C)n1
InChIInChI=1S/C8H9F.2C7H10N2/c1-2-7-5-3-4-6-8(7)9;1-3-7-5-8-4-6(2)9-7;1-3-7-8-5-4-6(2)9-7/h3-6H,2H2,1H3;2*4-5H,3H2,1-2H3
InChIKeyNVZIUZTZCJMERB-UHFFFAOYSA-N
XLogP5.08
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine?
The IUPAC name of 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine (CID 159901278) is 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine.
What is the SMILES notation for 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine?
The canonical SMILES for 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine is CCc1ccccc1F.CCc1cncc(C)n1.CCc1nccc(C)n1.
What is the InChIKey of 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine?
The InChIKey is NVZIUZTZCJMERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.2C7H10N2/c1-2-7-5-3-4-6-8(7)9;1-3-7-5-8-4-6(2)9-7;1-3-7-8-5-4-6(2)9-7/h3-6H,2H2,1H3;2*4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine?
1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine has a molecular weight of 368.50 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluorobenzene;2-ethyl-6-methylpyrazine;2-ethyl-4-methylpyrimidine is sourced from PubChem (CID 159901278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).