2-butyl-5-fluoropyrimidine

C8H11FN2 — CID 59694431

IUPAC2-butyl-5-fluoropyrimidine
SMILESCCCCc1ncc(F)cn1
InChIInChI=1S/C8H11FN2/c1-2-3-4-8-10-5-7(9)6-11-8/h5-6H,2-4H2,1H3
InChIKeySJFKLDWGVVTMGJ-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.96
Rot. Bonds3

About 2-butyl-5-fluoropyrimidine

2-butyl-5-fluoropyrimidine (PubChem CID 59694431) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-butyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2-butyl-5-fluoropyrimidine
PubChem CID59694431
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name2-butyl-5-fluoropyrimidine
SMILESCCCCc1ncc(F)cn1
InChIInChI=1S/C8H11FN2/c1-2-3-4-8-10-5-7(9)6-11-8/h5-6H,2-4H2,1H3
InChIKeySJFKLDWGVVTMGJ-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-fluoropyrimidine?
The IUPAC name of 2-butyl-5-fluoropyrimidine (CID 59694431) is 2-butyl-5-fluoropyrimidine.
What is the SMILES notation for 2-butyl-5-fluoropyrimidine?
The canonical SMILES for 2-butyl-5-fluoropyrimidine is CCCCc1ncc(F)cn1.
What is the InChIKey of 2-butyl-5-fluoropyrimidine?
The InChIKey is SJFKLDWGVVTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-2-3-4-8-10-5-7(9)6-11-8/h5-6H,2-4H2,1H3.
What are the key properties of 2-butyl-5-fluoropyrimidine?
2-butyl-5-fluoropyrimidine has a molecular weight of 154.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-fluoropyrimidine is sourced from PubChem (CID 59694431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).