5-cyclohexyloxypyrimidine

C10H14N2O — CID 88984821

IUPAC5-cyclohexyloxypyrimidine
SMILESc1ncc(OC2CCCCC2)cn1
InChIInChI=1S/C10H14N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h6-9H,1-5H2
InChIKeyCEMLDINEVZYRDB-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.19
Rot. Bonds2

About 5-cyclohexyloxypyrimidine

5-cyclohexyloxypyrimidine (PubChem CID 88984821) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-cyclohexyloxypyrimidine.

Molecular Properties

Compound Name5-cyclohexyloxypyrimidine
PubChem CID88984821
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-cyclohexyloxypyrimidine
SMILESc1ncc(OC2CCCCC2)cn1
InChIInChI=1S/C10H14N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h6-9H,1-5H2
InChIKeyCEMLDINEVZYRDB-UHFFFAOYSA-N
XLogP2.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxypyrimidine?
The IUPAC name of 5-cyclohexyloxypyrimidine (CID 88984821) is 5-cyclohexyloxypyrimidine.
What is the SMILES notation for 5-cyclohexyloxypyrimidine?
The canonical SMILES for 5-cyclohexyloxypyrimidine is c1ncc(OC2CCCCC2)cn1.
What is the InChIKey of 5-cyclohexyloxypyrimidine?
The InChIKey is CEMLDINEVZYRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h6-9H,1-5H2.
What are the key properties of 5-cyclohexyloxypyrimidine?
5-cyclohexyloxypyrimidine has a molecular weight of 178.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxypyrimidine is sourced from PubChem (CID 88984821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).