4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine

C15H17ClN2O — CID 55228714

IUPAC4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
SMILESCCCc1ccc(Oc2ncnc(Cl)c2CC)cc1
InChIInChI=1S/C15H17ClN2O/c1-3-5-11-6-8-12(9-7-11)19-15-13(4-2)14(16)17-10-18-15/h6-10H,3-5H2,1-2H3
InChIKeyNFRGWQIKGOSYCR-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.44
Rot. Bonds5

About 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine

4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine (PubChem CID 55228714) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
PubChem CID55228714
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
SMILESCCCc1ccc(Oc2ncnc(Cl)c2CC)cc1
InChIInChI=1S/C15H17ClN2O/c1-3-5-11-6-8-12(9-7-11)19-15-13(4-2)14(16)17-10-18-15/h6-10H,3-5H2,1-2H3
InChIKeyNFRGWQIKGOSYCR-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
2-[4-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710167
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
CID 107313613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine (CID 55228714) is 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine is CCCc1ccc(Oc2ncnc(Cl)c2CC)cc1.
What is the InChIKey of 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine?
The InChIKey is NFRGWQIKGOSYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-5-11-6-8-12(9-7-11)19-15-13(4-2)14(16)17-10-18-15/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine?
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine is sourced from PubChem (CID 55228714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).