4-chloro-2-cyclooctyl-6-propylpyrimidine

C15H23ClN2 — CID 80602535

IUPAC4-chloro-2-cyclooctyl-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2CCCCCCC2)n1
InChIInChI=1S/C15H23ClN2/c1-2-8-13-11-14(16)18-15(17-13)12-9-6-4-3-5-7-10-12/h11-12H,2-10H2,1H3
InChIKeyUSXOAPRDBHBCFP-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.91
Rot. Bonds3

About 4-chloro-2-cyclooctyl-6-propylpyrimidine

4-chloro-2-cyclooctyl-6-propylpyrimidine (PubChem CID 80602535) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-chloro-2-cyclooctyl-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclooctyl-6-propylpyrimidine
PubChem CID80602535
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-chloro-2-cyclooctyl-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2CCCCCCC2)n1
InChIInChI=1S/C15H23ClN2/c1-2-8-13-11-14(16)18-15(17-13)12-9-6-4-3-5-7-10-12/h11-12H,2-10H2,1H3
InChIKeyUSXOAPRDBHBCFP-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclooctyl-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-cyclooctyl-6-propylpyrimidine (CID 80602535) is 4-chloro-2-cyclooctyl-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclooctyl-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclooctyl-6-propylpyrimidine is CCCc1cc(Cl)nc(C2CCCCCCC2)n1.
What is the InChIKey of 4-chloro-2-cyclooctyl-6-propylpyrimidine?
The InChIKey is USXOAPRDBHBCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-8-13-11-14(16)18-15(17-13)12-9-6-4-3-5-7-10-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-chloro-2-cyclooctyl-6-propylpyrimidine?
4-chloro-2-cyclooctyl-6-propylpyrimidine has a molecular weight of 266.82 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclooctyl-6-propylpyrimidine is sourced from PubChem (CID 80602535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).