4-prop-2-enoxypyrimidine

C7H8N2O — CID 54067963

IUPAC4-prop-2-enoxypyrimidine
SMILESC=CCOc1ccncn1
InChIInChI=1S/C7H8N2O/c1-2-5-10-7-3-4-8-6-9-7/h2-4,6H,1,5H2
InChIKeyUZXCCGAPLPSKCY-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.04
Rot. Bonds3

About 4-prop-2-enoxypyrimidine

4-prop-2-enoxypyrimidine (PubChem CID 54067963) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-prop-2-enoxypyrimidine.

Molecular Properties

Compound Name4-prop-2-enoxypyrimidine
PubChem CID54067963
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name4-prop-2-enoxypyrimidine
SMILESC=CCOc1ccncn1
InChIInChI=1S/C7H8N2O/c1-2-5-10-7-3-4-8-6-9-7/h2-4,6H,1,5H2
InChIKeyUZXCCGAPLPSKCY-UHFFFAOYSA-N
XLogP1.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxypyrimidine?
The IUPAC name of 4-prop-2-enoxypyrimidine (CID 54067963) is 4-prop-2-enoxypyrimidine.
What is the SMILES notation for 4-prop-2-enoxypyrimidine?
The canonical SMILES for 4-prop-2-enoxypyrimidine is C=CCOc1ccncn1.
What is the InChIKey of 4-prop-2-enoxypyrimidine?
The InChIKey is UZXCCGAPLPSKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-5-10-7-3-4-8-6-9-7/h2-4,6H,1,5H2.
What are the key properties of 4-prop-2-enoxypyrimidine?
4-prop-2-enoxypyrimidine has a molecular weight of 136.15 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxypyrimidine is sourced from PubChem (CID 54067963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).