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

C14H14Cl2N2O — CID 80949039

IUPAC2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14Cl2N2O/c1-14(2,3)13-17-11(16)8-12(18-13)19-10-6-4-9(15)5-7-10/h4-8H,1-3H3
InChIKeyGASLLKPQYVQPDQ-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.87
Rot. Bonds2

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

2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine (PubChem CID 80949039) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
PubChem CID80949039
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14Cl2N2O/c1-14(2,3)13-17-11(16)8-12(18-13)19-10-6-4-9(15)5-7-10/h4-8H,1-3H3
InChIKeyGASLLKPQYVQPDQ-UHFFFAOYSA-N
XLogP4.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80968447
2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
2-tert-butyl-6-(3-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965877
2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
CID 102981534
2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
CID 80949430
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
CID 163247823
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766697
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine (CID 80949039) is 2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine is CC(C)(C)c1nc(Cl)cc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine?
The InChIKey is GASLLKPQYVQPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-14(2,3)13-17-11(16)8-12(18-13)19-10-6-4-9(15)5-7-10/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine?
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine has a molecular weight of 297.19 g/mol, XLogP of 4.87, 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-(4-chlorophenoxy)pyrimidine is sourced from PubChem (CID 80949039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).