4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine

C15H15ClN2O — CID 71282704

IUPAC4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine
SMILESClc1cc(-c2ccncn2)ccc1OC1CCCC1
InChIInChI=1S/C15H15ClN2O/c16-13-9-11(14-7-8-17-10-18-14)5-6-15(13)19-12-3-1-2-4-12/h5-10,12H,1-4H2
InChIKeyVSIXEDGAFBZIOQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.12
Rot. Bonds3

About 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine

4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine (PubChem CID 71282704) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine
PubChem CID71282704
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine
SMILESClc1cc(-c2ccncn2)ccc1OC1CCCC1
InChIInChI=1S/C15H15ClN2O/c16-13-9-11(14-7-8-17-10-18-14)5-6-15(13)19-12-3-1-2-4-12/h5-10,12H,1-4H2
InChIKeyVSIXEDGAFBZIOQ-UHFFFAOYSA-N
XLogP4.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine?
The IUPAC name of 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine (CID 71282704) is 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine.
What is the SMILES notation for 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine?
The canonical SMILES for 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine is Clc1cc(-c2ccncn2)ccc1OC1CCCC1.
What is the InChIKey of 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine?
The InChIKey is VSIXEDGAFBZIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-9-11(14-7-8-17-10-18-14)5-6-15(13)19-12-3-1-2-4-12/h5-10,12H,1-4H2.
What are the key properties of 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine?
4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine has a molecular weight of 274.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine is sourced from PubChem (CID 71282704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).