2-chloro-5-cyclohexylpyrimidine

C10H13ClN2 — CID 66520029

IUPAC2-chloro-5-cyclohexylpyrimidine
SMILESClc1ncc(C2CCCCC2)cn1
InChIInChI=1S/C10H13ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyQEJXRJUEPYEFTC-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.18
Rot. Bonds1

About 2-chloro-5-cyclohexylpyrimidine

2-chloro-5-cyclohexylpyrimidine (PubChem CID 66520029) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-chloro-5-cyclohexylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-cyclohexylpyrimidine
PubChem CID66520029
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-chloro-5-cyclohexylpyrimidine
SMILESClc1ncc(C2CCCCC2)cn1
InChIInChI=1S/C10H13ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyQEJXRJUEPYEFTC-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclohexylpyrimidine?
The IUPAC name of 2-chloro-5-cyclohexylpyrimidine (CID 66520029) is 2-chloro-5-cyclohexylpyrimidine.
What is the SMILES notation for 2-chloro-5-cyclohexylpyrimidine?
The canonical SMILES for 2-chloro-5-cyclohexylpyrimidine is Clc1ncc(C2CCCCC2)cn1.
What is the InChIKey of 2-chloro-5-cyclohexylpyrimidine?
The InChIKey is QEJXRJUEPYEFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-chloro-5-cyclohexylpyrimidine?
2-chloro-5-cyclohexylpyrimidine has a molecular weight of 196.68 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclohexylpyrimidine is sourced from PubChem (CID 66520029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).