4-chloro-2,6-dimethylpyrimidine

C6H7ClN2 — CID 3154199

IUPAC4-chloro-2,6-dimethylpyrimidine
SMILESCc1cc(Cl)nc(C)n1
InChIInChI=1S/C6H7ClN2/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3
InChIKeyGSXFOGXQLRLSKK-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.75
Rot. Bonds

About 4-chloro-2,6-dimethylpyrimidine

4-chloro-2,6-dimethylpyrimidine (PubChem CID 3154199) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 4-chloro-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dimethylpyrimidine
PubChem CID3154199
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name4-chloro-2,6-dimethylpyrimidine
SMILESCc1cc(Cl)nc(C)n1
InChIInChI=1S/C6H7ClN2/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3
InChIKeyGSXFOGXQLRLSKK-UHFFFAOYSA-N
XLogP1.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2,6-dimethylpyrimidine (CID 3154199) is 4-chloro-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2,6-dimethylpyrimidine is Cc1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-2,6-dimethylpyrimidine?
The InChIKey is GSXFOGXQLRLSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3.
What are the key properties of 4-chloro-2,6-dimethylpyrimidine?
4-chloro-2,6-dimethylpyrimidine has a molecular weight of 142.59 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethylpyrimidine is sourced from PubChem (CID 3154199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).