2-(chloromethyl)-4,6-dimethylpyrimidine

C7H9ClN2 — CID 12682962

IUPAC2-(chloromethyl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(CCl)n1
InChIInChI=1S/C7H9ClN2/c1-5-3-6(2)10-7(4-8)9-5/h3H,4H2,1-2H3
InChIKeyRVPRPXSYGUYDMT-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.83
Rot. Bonds1

About 2-(chloromethyl)-4,6-dimethylpyrimidine

2-(chloromethyl)-4,6-dimethylpyrimidine (PubChem CID 12682962) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-dimethylpyrimidine
PubChem CID12682962
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name2-(chloromethyl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(CCl)n1
InChIInChI=1S/C7H9ClN2/c1-5-3-6(2)10-7(4-8)9-5/h3H,4H2,1-2H3
InChIKeyRVPRPXSYGUYDMT-UHFFFAOYSA-N
XLogP1.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.83
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)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(chloromethyl)-4,6-dimethylpyrimidine (CID 12682962) is 2-(chloromethyl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(chloromethyl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4,6-dimethylpyrimidine?
The InChIKey is RVPRPXSYGUYDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5-3-6(2)10-7(4-8)9-5/h3H,4H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4,6-dimethylpyrimidine?
2-(chloromethyl)-4,6-dimethylpyrimidine has a molecular weight of 156.62 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 12682962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).