2-tert-butyl-5-fluoropyrimidine

C8H11FN2 — CID 22958265

IUPAC2-tert-butyl-5-fluoropyrimidine
SMILESCC(C)(C)c1ncc(F)cn1
InChIInChI=1S/C8H11FN2/c1-8(2,3)7-10-4-6(9)5-11-7/h4-5H,1-3H3
InChIKeyUEEUGHRSUIKDRT-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.91
Rot. Bonds

About 2-tert-butyl-5-fluoropyrimidine

2-tert-butyl-5-fluoropyrimidine (PubChem CID 22958265) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-fluoropyrimidine
PubChem CID22958265
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name2-tert-butyl-5-fluoropyrimidine
SMILESCC(C)(C)c1ncc(F)cn1
InChIInChI=1S/C8H11FN2/c1-8(2,3)7-10-4-6(9)5-11-7/h4-5H,1-3H3
InChIKeyUEEUGHRSUIKDRT-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoropyrimidine?
The IUPAC name of 2-tert-butyl-5-fluoropyrimidine (CID 22958265) is 2-tert-butyl-5-fluoropyrimidine.
What is the SMILES notation for 2-tert-butyl-5-fluoropyrimidine?
The canonical SMILES for 2-tert-butyl-5-fluoropyrimidine is CC(C)(C)c1ncc(F)cn1.
What is the InChIKey of 2-tert-butyl-5-fluoropyrimidine?
The InChIKey is UEEUGHRSUIKDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-8(2,3)7-10-4-6(9)5-11-7/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-5-fluoropyrimidine?
2-tert-butyl-5-fluoropyrimidine has a molecular weight of 154.19 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoropyrimidine is sourced from PubChem (CID 22958265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).