2-(chloromethyl)-5-methylpyrimidine

C6H7ClN2 — CID 14686698

IUPAC2-(chloromethyl)-5-methylpyrimidine
SMILESCc1cnc(CCl)nc1
InChIInChI=1S/C6H7ClN2/c1-5-3-8-6(2-7)9-4-5/h3-4H,2H2,1H3
InChIKeyDNNMMHYLAVKZJE-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.52
Rot. Bonds1

About 2-(chloromethyl)-5-methylpyrimidine

2-(chloromethyl)-5-methylpyrimidine (PubChem CID 14686698) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methylpyrimidine
PubChem CID14686698
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name2-(chloromethyl)-5-methylpyrimidine
SMILESCc1cnc(CCl)nc1
InChIInChI=1S/C6H7ClN2/c1-5-3-8-6(2-7)9-4-5/h3-4H,2H2,1H3
InChIKeyDNNMMHYLAVKZJE-UHFFFAOYSA-N
XLogP1.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.52
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 2-(chloromethyl)-5-methylpyrimidine?
The IUPAC name of 2-(chloromethyl)-5-methylpyrimidine (CID 14686698) is 2-(chloromethyl)-5-methylpyrimidine.
What is the SMILES notation for 2-(chloromethyl)-5-methylpyrimidine?
The canonical SMILES for 2-(chloromethyl)-5-methylpyrimidine is Cc1cnc(CCl)nc1.
What is the InChIKey of 2-(chloromethyl)-5-methylpyrimidine?
The InChIKey is DNNMMHYLAVKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-5-3-8-6(2-7)9-4-5/h3-4H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methylpyrimidine?
2-(chloromethyl)-5-methylpyrimidine has a molecular weight of 142.59 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methylpyrimidine is sourced from PubChem (CID 14686698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).