5-(chloromethyl)pyrimidine;hydrochloride

C5H6Cl2N2 — CID 57415795

IUPAC5-(chloromethyl)pyrimidine;hydrochloride
SMILESCl.ClCc1cncnc1
InChIInChI=1S/C5H5ClN2.ClH/c6-1-5-2-7-4-8-3-5;/h2-4H,1H2;1H
InChIKeyQXJVZEHGCCFJPZ-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.64
Rot. Bonds1

About 5-(chloromethyl)pyrimidine;hydrochloride

5-(chloromethyl)pyrimidine;hydrochloride (PubChem CID 57415795) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 5-(chloromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)pyrimidine;hydrochloride
PubChem CID57415795
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name5-(chloromethyl)pyrimidine;hydrochloride
SMILESCl.ClCc1cncnc1
InChIInChI=1S/C5H5ClN2.ClH/c6-1-5-2-7-4-8-3-5;/h2-4H,1H2;1H
InChIKeyQXJVZEHGCCFJPZ-UHFFFAOYSA-N
XLogP1.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.64
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)pyrimidine;hydrochloride?
The IUPAC name of 5-(chloromethyl)pyrimidine;hydrochloride (CID 57415795) is 5-(chloromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)pyrimidine;hydrochloride is Cl.ClCc1cncnc1.
What is the InChIKey of 5-(chloromethyl)pyrimidine;hydrochloride?
The InChIKey is QXJVZEHGCCFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2.ClH/c6-1-5-2-7-4-8-3-5;/h2-4H,1H2;1H.
What are the key properties of 5-(chloromethyl)pyrimidine;hydrochloride?
5-(chloromethyl)pyrimidine;hydrochloride has a molecular weight of 165.02 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 57415795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).