2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine

C15H16ClFN2O — CID 107169197

IUPAC2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2cc(Cl)nc(C(C)(C)C)n2)cc1F
InChIInChI=1S/C15H16ClFN2O/c1-9-5-6-10(7-11(9)17)20-13-8-12(16)18-14(19-13)15(2,3)4/h5-8H,1-4H3
InChIKeyGYFKJYUAGHZEBN-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.67
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine

2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine (PubChem CID 107169197) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
PubChem CID107169197
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2cc(Cl)nc(C(C)(C)C)n2)cc1F
InChIInChI=1S/C15H16ClFN2O/c1-9-5-6-10(7-11(9)17)20-13-8-12(16)18-14(19-13)15(2,3)4/h5-8H,1-4H3
InChIKeyGYFKJYUAGHZEBN-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine (CID 107169197) is 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine is Cc1ccc(Oc2cc(Cl)nc(C(C)(C)C)n2)cc1F.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine?
The InChIKey is GYFKJYUAGHZEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-9-5-6-10(7-11(9)17)20-13-8-12(16)18-14(19-13)15(2,3)4/h5-8H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine?
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine has a molecular weight of 294.76 g/mol, XLogP of 4.67, 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-(3-fluoro-4-methylphenoxy)pyrimidine is sourced from PubChem (CID 107169197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).