4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine

C16H19ClN2O — CID 63734002

IUPAC4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H19ClN2O/c1-5-13-14(17)18-10-19-15(13)20-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3
InChIKeyJILBYXFNJWCREX-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.78
Rot. Bonds3

About 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine

4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine (PubChem CID 63734002) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
PubChem CID63734002
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H19ClN2O/c1-5-13-14(17)18-10-19-15(13)20-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3
InChIKeyJILBYXFNJWCREX-UHFFFAOYSA-N
XLogP4.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine?
The IUPAC name of 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine (CID 63734002) is 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine is CCc1c(Cl)ncnc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine?
The InChIKey is JILBYXFNJWCREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-5-13-14(17)18-10-19-15(13)20-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine?
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine is sourced from PubChem (CID 63734002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).