2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine

C14H14ClFN2O — CID 80948165

IUPAC2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(Oc2ccccc2F)n1
InChIInChI=1S/C14H14ClFN2O/c1-14(2,3)13-17-11(15)8-12(18-13)19-10-7-5-4-6-9(10)16/h4-8H,1-3H3
InChIKeyAEXTYHYQSPONAY-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.36
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine

2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine (PubChem CID 80948165) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
PubChem CID80948165
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(Oc2ccccc2F)n1
InChIInChI=1S/C14H14ClFN2O/c1-14(2,3)13-17-11(15)8-12(18-13)19-10-7-5-4-6-9(10)16/h4-8H,1-3H3
InChIKeyAEXTYHYQSPONAY-UHFFFAOYSA-N
XLogP4.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
CID 102981534
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
CID 80949430
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766742
2-chloro-4-(2-fluorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562029
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766656
2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965836
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
2-tert-butyl-6-(2-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80957916

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine (CID 80948165) is 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine is CC(C)(C)c1nc(Cl)cc(Oc2ccccc2F)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine?
The InChIKey is AEXTYHYQSPONAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-14(2,3)13-17-11(15)8-12(18-13)19-10-7-5-4-6-9(10)16/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine?
2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine has a molecular weight of 280.73 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine is sourced from PubChem (CID 80948165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).