4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine

C15H17ClN2O2 — CID 63734858

IUPAC4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1ccccc1OCC
InChIInChI=1S/C15H17ClN2O2/c1-3-7-11-14(16)17-10-18-15(11)20-13-9-6-5-8-12(13)19-4-2/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyQJVRBEPUWDBVTP-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.27
Rot. Bonds6

About 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine

4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine (PubChem CID 63734858) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
PubChem CID63734858
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1ccccc1OCC
InChIInChI=1S/C15H17ClN2O2/c1-3-7-11-14(16)17-10-18-15(11)20-13-9-6-5-8-12(13)19-4-2/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyQJVRBEPUWDBVTP-UHFFFAOYSA-N
XLogP4.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
CID 103044702
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664674
4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
CID 107087736
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine (CID 63734858) is 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1Oc1ccccc1OCC.
What is the InChIKey of 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine?
The InChIKey is QJVRBEPUWDBVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-7-11-14(16)17-10-18-15(11)20-13-9-6-5-8-12(13)19-4-2/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine?
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine has a molecular weight of 292.77 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine is sourced from PubChem (CID 63734858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).