4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine

C11H17ClN2O — CID 64539434

IUPAC4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine
SMILESCCOC(C)c1nc(Cl)c(C)c(CC)n1
InChIInChI=1S/C11H17ClN2O/c1-5-9-7(3)10(12)14-11(13-9)8(4)15-6-2/h8H,5-6H2,1-4H3
InChIKeyWRDPATWKSNGZSX-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.10
Rot. Bonds4

About 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine

4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine (PubChem CID 64539434) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine
PubChem CID64539434
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine
SMILESCCOC(C)c1nc(Cl)c(C)c(CC)n1
InChIInChI=1S/C11H17ClN2O/c1-5-9-7(3)10(12)14-11(13-9)8(4)15-6-2/h8H,5-6H2,1-4H3
InChIKeyWRDPATWKSNGZSX-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine (CID 64539434) is 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine is CCOC(C)c1nc(Cl)c(C)c(CC)n1.
What is the InChIKey of 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine?
The InChIKey is WRDPATWKSNGZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-5-9-7(3)10(12)14-11(13-9)8(4)15-6-2/h8H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine?
4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine has a molecular weight of 228.72 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxyethyl)-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 64539434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).