2-chloro-5-cyclohexyloxypyrimidine

C10H13ClN2O — CID 84618263

IUPAC2-chloro-5-cyclohexyloxypyrimidine
SMILESClc1ncc(OC2CCCCC2)cn1
InChIInChI=1S/C10H13ClN2O/c11-10-12-6-9(7-13-10)14-8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHGFCWVNWPDQMFZ-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.84
Rot. Bonds2

About 2-chloro-5-cyclohexyloxypyrimidine

2-chloro-5-cyclohexyloxypyrimidine (PubChem CID 84618263) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-5-cyclohexyloxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-cyclohexyloxypyrimidine
PubChem CID84618263
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-5-cyclohexyloxypyrimidine
SMILESClc1ncc(OC2CCCCC2)cn1
InChIInChI=1S/C10H13ClN2O/c11-10-12-6-9(7-13-10)14-8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHGFCWVNWPDQMFZ-UHFFFAOYSA-N
XLogP2.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclohexyloxypyrimidine?
The IUPAC name of 2-chloro-5-cyclohexyloxypyrimidine (CID 84618263) is 2-chloro-5-cyclohexyloxypyrimidine.
What is the SMILES notation for 2-chloro-5-cyclohexyloxypyrimidine?
The canonical SMILES for 2-chloro-5-cyclohexyloxypyrimidine is Clc1ncc(OC2CCCCC2)cn1.
What is the InChIKey of 2-chloro-5-cyclohexyloxypyrimidine?
The InChIKey is HGFCWVNWPDQMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-12-6-9(7-13-10)14-8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-chloro-5-cyclohexyloxypyrimidine?
2-chloro-5-cyclohexyloxypyrimidine has a molecular weight of 212.68 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclohexyloxypyrimidine is sourced from PubChem (CID 84618263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).