2-(4-tert-butylphenoxy)-5-fluoropyrimidine

C14H15FN2O — CID 69192673

IUPAC2-(4-tert-butylphenoxy)-5-fluoropyrimidine
SMILESCC(C)(C)c1ccc(Oc2ncc(F)cn2)cc1
InChIInChI=1S/C14H15FN2O/c1-14(2,3)10-4-6-12(7-5-10)18-13-16-8-11(15)9-17-13/h4-9H,1-3H3
InChIKeyKHAFMLMVEYVDIF-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-tert-butylphenoxy)-5-fluoropyrimidine

2-(4-tert-butylphenoxy)-5-fluoropyrimidine (PubChem CID 69192673) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-5-fluoropyrimidine
PubChem CID69192673
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(4-tert-butylphenoxy)-5-fluoropyrimidine
SMILESCC(C)(C)c1ccc(Oc2ncc(F)cn2)cc1
InChIInChI=1S/C14H15FN2O/c1-14(2,3)10-4-6-12(7-5-10)18-13-16-8-11(15)9-17-13/h4-9H,1-3H3
InChIKeyKHAFMLMVEYVDIF-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
5-bromo-2-(4-fluorophenoxy)pyrimidine
CID 4270915
5-iodo-2-[4-(2-methylbutan-2-yl)phenoxy]pyrimidine
CID 116649130
2-[4-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 113432159
2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine
CID 166234271
4-(4-tert-butylphenoxy)-1H-pyrazole
CID 97179605
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
2-tert-butyl-5-fluoropyrimidine
CID 22958265
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-5-fluoropyrimidine?
The IUPAC name of 2-(4-tert-butylphenoxy)-5-fluoropyrimidine (CID 69192673) is 2-(4-tert-butylphenoxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-5-fluoropyrimidine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-5-fluoropyrimidine is CC(C)(C)c1ccc(Oc2ncc(F)cn2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-5-fluoropyrimidine?
The InChIKey is KHAFMLMVEYVDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-14(2,3)10-4-6-12(7-5-10)18-13-16-8-11(15)9-17-13/h4-9H,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)-5-fluoropyrimidine?
2-(4-tert-butylphenoxy)-5-fluoropyrimidine has a molecular weight of 246.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-5-fluoropyrimidine is sourced from PubChem (CID 69192673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).