2-hex-5-enoxy-4,5-diphenylpyrimidine

C22H22N2O — CID 68797967

IUPAC2-hex-5-enoxy-4,5-diphenylpyrimidine
SMILESC=CCCCCOc1ncc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H22N2O/c1-2-3-4-11-16-25-22-23-17-20(18-12-7-5-8-13-18)21(24-22)19-14-9-6-10-15-19/h2,5-10,12-15,17H,1,3-4,11,16H2
InChIKeyICYOSOHLTPBQSG-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.55
Rot. Bonds8

About 2-hex-5-enoxy-4,5-diphenylpyrimidine

2-hex-5-enoxy-4,5-diphenylpyrimidine (PubChem CID 68797967) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-hex-5-enoxy-4,5-diphenylpyrimidine.

Molecular Properties

Compound Name2-hex-5-enoxy-4,5-diphenylpyrimidine
PubChem CID68797967
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-hex-5-enoxy-4,5-diphenylpyrimidine
SMILESC=CCCCCOc1ncc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H22N2O/c1-2-3-4-11-16-25-22-23-17-20(18-12-7-5-8-13-18)21(24-22)19-14-9-6-10-15-19/h2,5-10,12-15,17H,1,3-4,11,16H2
InChIKeyICYOSOHLTPBQSG-UHFFFAOYSA-N
XLogP5.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enoxy-4,5-diphenylpyrimidine?
The IUPAC name of 2-hex-5-enoxy-4,5-diphenylpyrimidine (CID 68797967) is 2-hex-5-enoxy-4,5-diphenylpyrimidine.
What is the SMILES notation for 2-hex-5-enoxy-4,5-diphenylpyrimidine?
The canonical SMILES for 2-hex-5-enoxy-4,5-diphenylpyrimidine is C=CCCCCOc1ncc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-hex-5-enoxy-4,5-diphenylpyrimidine?
The InChIKey is ICYOSOHLTPBQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-3-4-11-16-25-22-23-17-20(18-12-7-5-8-13-18)21(24-22)19-14-9-6-10-15-19/h2,5-10,12-15,17H,1,3-4,11,16H2.
What are the key properties of 2-hex-5-enoxy-4,5-diphenylpyrimidine?
2-hex-5-enoxy-4,5-diphenylpyrimidine has a molecular weight of 330.43 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enoxy-4,5-diphenylpyrimidine is sourced from PubChem (CID 68797967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).