2-chloro-4-(2-ethoxyethenyl)pyrimidine

C8H9ClN2O — CID 123191191

IUPAC2-chloro-4-(2-ethoxyethenyl)pyrimidine
SMILESCCOC=Cc1ccnc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-2-12-6-4-7-3-5-10-8(9)11-7/h3-6H,2H2,1H3
InChIKeyXJINJQZDWOYDLK-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.14
Rot. Bonds3

About 2-chloro-4-(2-ethoxyethenyl)pyrimidine

2-chloro-4-(2-ethoxyethenyl)pyrimidine (PubChem CID 123191191) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-4-(2-ethoxyethenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-ethoxyethenyl)pyrimidine
PubChem CID123191191
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-4-(2-ethoxyethenyl)pyrimidine
SMILESCCOC=Cc1ccnc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-2-12-6-4-7-3-5-10-8(9)11-7/h3-6H,2H2,1H3
InChIKeyXJINJQZDWOYDLK-UHFFFAOYSA-N
XLogP2.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethoxyethenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-ethoxyethenyl)pyrimidine (CID 123191191) is 2-chloro-4-(2-ethoxyethenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-ethoxyethenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-ethoxyethenyl)pyrimidine is CCOC=Cc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-ethoxyethenyl)pyrimidine?
The InChIKey is XJINJQZDWOYDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-2-12-6-4-7-3-5-10-8(9)11-7/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-4-(2-ethoxyethenyl)pyrimidine?
2-chloro-4-(2-ethoxyethenyl)pyrimidine has a molecular weight of 184.63 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethoxyethenyl)pyrimidine is sourced from PubChem (CID 123191191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).