5-(chloromethyl)-2-cyclohexylpyrimidine

C11H15ClN2 — CID 62755900

IUPAC5-(chloromethyl)-2-cyclohexylpyrimidine
SMILESClCc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C11H15ClN2/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h7-8,10H,1-6H2
InChIKeyPYOFJCNUMOAJMD-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.26
Rot. Bonds2

About 5-(chloromethyl)-2-cyclohexylpyrimidine

5-(chloromethyl)-2-cyclohexylpyrimidine (PubChem CID 62755900) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 5-(chloromethyl)-2-cyclohexylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-cyclohexylpyrimidine
PubChem CID62755900
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name5-(chloromethyl)-2-cyclohexylpyrimidine
SMILESClCc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C11H15ClN2/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h7-8,10H,1-6H2
InChIKeyPYOFJCNUMOAJMD-UHFFFAOYSA-N
XLogP3.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-cyclohexylpyrimidine?
The IUPAC name of 5-(chloromethyl)-2-cyclohexylpyrimidine (CID 62755900) is 5-(chloromethyl)-2-cyclohexylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-cyclohexylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-cyclohexylpyrimidine is ClCc1cnc(C2CCCCC2)nc1.
What is the InChIKey of 5-(chloromethyl)-2-cyclohexylpyrimidine?
The InChIKey is PYOFJCNUMOAJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h7-8,10H,1-6H2.
What are the key properties of 5-(chloromethyl)-2-cyclohexylpyrimidine?
5-(chloromethyl)-2-cyclohexylpyrimidine has a molecular weight of 210.71 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-cyclohexylpyrimidine is sourced from PubChem (CID 62755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).