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

C16H19ClN2O2 — CID 80972845

IUPAC2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine
SMILESCOc1ccccc1Oc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C16H19ClN2O2/c1-10-13(17)18-15(16(2,3)4)19-14(10)21-12-9-7-6-8-11(12)20-5/h6-9H,1-5H3
InChIKeyUCSPURULBZRRNV-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.54
Rot. Bonds3

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

2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine (PubChem CID 80972845) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine
PubChem CID80972845
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine
SMILESCOc1ccccc1Oc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C16H19ClN2O2/c1-10-13(17)18-15(16(2,3)4)19-14(10)21-12-9-7-6-8-11(12)20-5/h6-9H,1-5H3
InChIKeyUCSPURULBZRRNV-UHFFFAOYSA-N
XLogP4.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine (CID 80972845) is 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine is COc1ccccc1Oc1nc(C(C)(C)C)nc(Cl)c1C.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine?
The InChIKey is UCSPURULBZRRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-13(17)18-15(16(2,3)4)19-14(10)21-12-9-7-6-8-11(12)20-5/h6-9H,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine?
2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine has a molecular weight of 306.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine is sourced from PubChem (CID 80972845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).