4-tert-butyl-6-fluoropyrimidine

C8H11FN2 — CID 58945662

IUPAC4-tert-butyl-6-fluoropyrimidine
SMILESCC(C)(C)c1cc(F)ncn1
InChIInChI=1S/C8H11FN2/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3
InChIKeyDQTMOOHCDDHLDR-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.91
Rot. Bonds

About 4-tert-butyl-6-fluoropyrimidine

4-tert-butyl-6-fluoropyrimidine (PubChem CID 58945662) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 4-tert-butyl-6-fluoropyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-fluoropyrimidine
PubChem CID58945662
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name4-tert-butyl-6-fluoropyrimidine
SMILESCC(C)(C)c1cc(F)ncn1
InChIInChI=1S/C8H11FN2/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3
InChIKeyDQTMOOHCDDHLDR-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 4-tert-butyl-6-fluoropyrimidine?
The IUPAC name of 4-tert-butyl-6-fluoropyrimidine (CID 58945662) is 4-tert-butyl-6-fluoropyrimidine.
What is the SMILES notation for 4-tert-butyl-6-fluoropyrimidine?
The canonical SMILES for 4-tert-butyl-6-fluoropyrimidine is CC(C)(C)c1cc(F)ncn1.
What is the InChIKey of 4-tert-butyl-6-fluoropyrimidine?
The InChIKey is DQTMOOHCDDHLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3.
What are the key properties of 4-tert-butyl-6-fluoropyrimidine?
4-tert-butyl-6-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 4-tert-butyl-6-fluoropyrimidine is sourced from PubChem (CID 58945662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).