2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine

C16H18ClFN2O — CID 107169151

IUPAC2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine
SMILESCc1ccc(Oc2nc(C(C)(C)C)nc(Cl)c2C)cc1F
InChIInChI=1S/C16H18ClFN2O/c1-9-6-7-11(8-12(9)18)21-14-10(2)13(17)19-15(20-14)16(3,4)5/h6-8H,1-5H3
InChIKeyKFUBQRBTPIHBQM-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.98
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine

2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine (PubChem CID 107169151) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine
PubChem CID107169151
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine
SMILESCc1ccc(Oc2nc(C(C)(C)C)nc(Cl)c2C)cc1F
InChIInChI=1S/C16H18ClFN2O/c1-9-6-7-11(8-12(9)18)21-14-10(2)13(17)19-15(20-14)16(3,4)5/h6-8H,1-5H3
InChIKeyKFUBQRBTPIHBQM-UHFFFAOYSA-N
XLogP4.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidine
CID 80973267
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178
4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
CID 81314867
4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
CID 82716251
4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
CID 80973130
2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80972845
3,5-dichloro-6-(3-fluoro-4-methylphenoxy)-N-methylpyridin-2-amine
CID 107171841
3,5-dichloro-N-ethyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107171826
[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80973268
5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107169190
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine (CID 107169151) is 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine is Cc1ccc(Oc2nc(C(C)(C)C)nc(Cl)c2C)cc1F.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine?
The InChIKey is KFUBQRBTPIHBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-9-6-7-11(8-12(9)18)21-14-10(2)13(17)19-15(20-14)16(3,4)5/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine?
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine has a molecular weight of 308.78 g/mol, XLogP of 4.98, 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)-5-methylpyrimidine is sourced from PubChem (CID 107169151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).