4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine

C13H15ClN2O — CID 62345963

IUPAC4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc(CC)o2)n1
InChIInChI=1S/C13H15ClN2O/c1-3-5-9-8-12(14)16-13(15-9)11-7-6-10(4-2)17-11/h6-8H,3-5H2,1-2H3
InChIKeyFAWOVMDHPCNEIN-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.90
Rot. Bonds4

About 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine

4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine (PubChem CID 62345963) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine
PubChem CID62345963
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc(CC)o2)n1
InChIInChI=1S/C13H15ClN2O/c1-3-5-9-8-12(14)16-13(15-9)11-7-6-10(4-2)17-11/h6-8H,3-5H2,1-2H3
InChIKeyFAWOVMDHPCNEIN-UHFFFAOYSA-N
XLogP3.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine 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-(5-ethylfuran-2-yl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine (CID 62345963) is 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2ccc(CC)o2)n1.
What is the InChIKey of 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine?
The InChIKey is FAWOVMDHPCNEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-5-9-8-12(14)16-13(15-9)11-7-6-10(4-2)17-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine?
4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine has a molecular weight of 250.73 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-ethylfuran-2-yl)-6-propylpyrimidine is sourced from PubChem (CID 62345963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).