4-ethyl-5-fluoropyrimidine

C6H7FN2 — CID 19074919

IUPAC4-ethyl-5-fluoropyrimidine
SMILESCCc1ncncc1F
InChIInChI=1S/C6H7FN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKeyAYZDRTRWCASUFO-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.18
Rot. Bonds1

About 4-ethyl-5-fluoropyrimidine

4-ethyl-5-fluoropyrimidine (PubChem CID 19074919) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 4-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoropyrimidine
PubChem CID19074919
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name4-ethyl-5-fluoropyrimidine
SMILESCCc1ncncc1F
InChIInChI=1S/C6H7FN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKeyAYZDRTRWCASUFO-UHFFFAOYSA-N
XLogP1.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoropyrimidine?
The IUPAC name of 4-ethyl-5-fluoropyrimidine (CID 19074919) is 4-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4-ethyl-5-fluoropyrimidine is CCc1ncncc1F.
What is the InChIKey of 4-ethyl-5-fluoropyrimidine?
The InChIKey is AYZDRTRWCASUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3.
What are the key properties of 4-ethyl-5-fluoropyrimidine?
4-ethyl-5-fluoropyrimidine has a molecular weight of 126.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 19074919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).