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

C16H19ClN2O — CID 63506097

IUPAC4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine
SMILESCc1ccc(C(C)(C)C)c(Oc2cc(C)nc(Cl)n2)c1
InChIInChI=1S/C16H19ClN2O/c1-10-6-7-12(16(3,4)5)13(8-10)20-14-9-11(2)18-15(17)19-14/h6-9H,1-5H3
InChIKeyFYDNZQHWWRFMKZ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.84
Rot. Bonds2

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

4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine (PubChem CID 63506097) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine
PubChem CID63506097
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine
SMILESCc1ccc(C(C)(C)C)c(Oc2cc(C)nc(Cl)n2)c1
InChIInChI=1S/C16H19ClN2O/c1-10-6-7-12(16(3,4)5)13(8-10)20-14-9-11(2)18-15(17)19-14/h6-9H,1-5H3
InChIKeyFYDNZQHWWRFMKZ-UHFFFAOYSA-N
XLogP4.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine?
The IUPAC name of 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine (CID 63506097) is 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine.
What is the SMILES notation for 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine?
The canonical SMILES for 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine is Cc1ccc(C(C)(C)C)c(Oc2cc(C)nc(Cl)n2)c1.
What is the InChIKey of 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine?
The InChIKey is FYDNZQHWWRFMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-6-7-12(16(3,4)5)13(8-10)20-14-9-11(2)18-15(17)19-14/h6-9H,1-5H3.
What are the key properties of 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine?
4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine is sourced from PubChem (CID 63506097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).