5-(4-cyclopentylphenyl)-4-methoxypyrimidine

C16H18N2O — CID 166359869

IUPAC5-(4-cyclopentylphenyl)-4-methoxypyrimidine
SMILESCOc1ncncc1-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C16H18N2O/c1-19-16-15(10-17-11-18-16)14-8-6-13(7-9-14)12-4-2-3-5-12/h6-12H,2-5H2,1H3
InChIKeyFEEYGOZPSHPHJW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.81
Rot. Bonds3

About 5-(4-cyclopentylphenyl)-4-methoxypyrimidine

5-(4-cyclopentylphenyl)-4-methoxypyrimidine (PubChem CID 166359869) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(4-cyclopentylphenyl)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-(4-cyclopentylphenyl)-4-methoxypyrimidine
PubChem CID166359869
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-(4-cyclopentylphenyl)-4-methoxypyrimidine
SMILESCOc1ncncc1-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C16H18N2O/c1-19-16-15(10-17-11-18-16)14-8-6-13(7-9-14)12-4-2-3-5-12/h6-12H,2-5H2,1H3
InChIKeyFEEYGOZPSHPHJW-UHFFFAOYSA-N
XLogP3.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentylphenyl)-4-methoxypyrimidine?
The IUPAC name of 5-(4-cyclopentylphenyl)-4-methoxypyrimidine (CID 166359869) is 5-(4-cyclopentylphenyl)-4-methoxypyrimidine.
What is the SMILES notation for 5-(4-cyclopentylphenyl)-4-methoxypyrimidine?
The canonical SMILES for 5-(4-cyclopentylphenyl)-4-methoxypyrimidine is COc1ncncc1-c1ccc(C2CCCC2)cc1.
What is the InChIKey of 5-(4-cyclopentylphenyl)-4-methoxypyrimidine?
The InChIKey is FEEYGOZPSHPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-16-15(10-17-11-18-16)14-8-6-13(7-9-14)12-4-2-3-5-12/h6-12H,2-5H2,1H3.
What are the key properties of 5-(4-cyclopentylphenyl)-4-methoxypyrimidine?
5-(4-cyclopentylphenyl)-4-methoxypyrimidine has a molecular weight of 254.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentylphenyl)-4-methoxypyrimidine is sourced from PubChem (CID 166359869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).