4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine

C16H19ClN2O — CID 107664579

IUPAC4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H19ClN2O/c1-4-11(3)12-6-8-13(9-7-12)20-16-14(5-2)15(17)18-10-19-16/h6-11H,4-5H2,1-3H3
InChIKeyFUWTXJGQIAFPNC-UHFFFAOYSA-N
MW290.79 g/mol
LogP5.00
Rot. Bonds5

About 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine

4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine (PubChem CID 107664579) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine.

Molecular Properties

Compound Name4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
PubChem CID107664579
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H19ClN2O/c1-4-11(3)12-6-8-13(9-7-12)20-16-14(5-2)15(17)18-10-19-16/h6-11H,4-5H2,1-3H3
InChIKeyFUWTXJGQIAFPNC-UHFFFAOYSA-N
XLogP5.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine
CID 107664592
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 107669579
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
CID 107313613
4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 115401775
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine?
The IUPAC name of 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine (CID 107664579) is 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine.
What is the SMILES notation for 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine?
The canonical SMILES for 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine is CCc1c(Cl)ncnc1Oc1ccc(C(C)CC)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine?
The InChIKey is FUWTXJGQIAFPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-11(3)12-6-8-13(9-7-12)20-16-14(5-2)15(17)18-10-19-16/h6-11H,4-5H2,1-3H3.
What are the key properties of 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine?
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine has a molecular weight of 290.79 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine is sourced from PubChem (CID 107664579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).