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

C15H16ClFN2O — CID 102981534

IUPAC2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
SMILESCc1ccc(F)cc1Oc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C15H16ClFN2O/c1-9-5-6-10(17)7-11(9)20-13-8-12(16)18-14(19-13)15(2,3)4/h5-8H,1-4H3
InChIKeyPBBPNDJABDLCIO-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.67
Rot. Bonds2

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

2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine (PubChem CID 102981534) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
PubChem CID102981534
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
SMILESCc1ccc(F)cc1Oc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C15H16ClFN2O/c1-9-5-6-10(17)7-11(9)20-13-8-12(16)18-14(19-13)15(2,3)4/h5-8H,1-4H3
InChIKeyPBBPNDJABDLCIO-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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Related Compounds

2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
CID 80949430
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766656
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
2-tert-butyl-6-(2-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80957916
[6-(5-fluoro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776494
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872
6-(5-fluoro-2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102989067

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine (CID 102981534) is 2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine is Cc1ccc(F)cc1Oc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine?
The InChIKey is PBBPNDJABDLCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-9-5-6-10(17)7-11(9)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-(5-fluoro-2-methylphenoxy)pyrimidine?
2-tert-butyl-4-chloro-6-(5-fluoro-2-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-(5-fluoro-2-methylphenoxy)pyrimidine is sourced from PubChem (CID 102981534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).