4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine

C10H15ClN2O — CID 66327001

IUPAC4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine
SMILESCCOc1ncnc(CC(C)Cl)c1C
InChIInChI=1S/C10H15ClN2O/c1-4-14-10-8(3)9(5-7(2)11)12-6-13-10/h6-7H,4-5H2,1-3H3
InChIKeyXTPLOXFWTNKLIJ-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.35
Rot. Bonds4

About 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine

4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine (PubChem CID 66327001) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine
PubChem CID66327001
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine
SMILESCCOc1ncnc(CC(C)Cl)c1C
InChIInChI=1S/C10H15ClN2O/c1-4-14-10-8(3)9(5-7(2)11)12-6-13-10/h6-7H,4-5H2,1-3H3
InChIKeyXTPLOXFWTNKLIJ-UHFFFAOYSA-N
XLogP2.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine?
The IUPAC name of 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine (CID 66327001) is 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine.
What is the SMILES notation for 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine?
The canonical SMILES for 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine is CCOc1ncnc(CC(C)Cl)c1C.
What is the InChIKey of 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine?
The InChIKey is XTPLOXFWTNKLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-4-14-10-8(3)9(5-7(2)11)12-6-13-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine?
4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine has a molecular weight of 214.70 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine is sourced from PubChem (CID 66327001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).