4,5-dimethylpyrimidine

C6H8N2 — CID 572516

IUPAC4,5-dimethylpyrimidine
SMILESCc1cncnc1C
InChIInChI=1S/C6H8N2/c1-5-3-7-4-8-6(5)2/h3-4H,1-2H3
InChIKeyXPCYMUBTCGGWOH-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.09
Rot. Bonds

About 4,5-dimethylpyrimidine

4,5-dimethylpyrimidine (PubChem CID 572516) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 4,5-dimethylpyrimidine.

Molecular Properties

Compound Name4,5-dimethylpyrimidine
PubChem CID572516
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name4,5-dimethylpyrimidine
SMILESCc1cncnc1C
InChIInChI=1S/C6H8N2/c1-5-3-7-4-8-6(5)2/h3-4H,1-2H3
InChIKeyXPCYMUBTCGGWOH-UHFFFAOYSA-N
XLogP1.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyrimidine?
The IUPAC name of 4,5-dimethylpyrimidine (CID 572516) is 4,5-dimethylpyrimidine.
What is the SMILES notation for 4,5-dimethylpyrimidine?
The canonical SMILES for 4,5-dimethylpyrimidine is Cc1cncnc1C.
What is the InChIKey of 4,5-dimethylpyrimidine?
The InChIKey is XPCYMUBTCGGWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-3-7-4-8-6(5)2/h3-4H,1-2H3.
What are the key properties of 4,5-dimethylpyrimidine?
4,5-dimethylpyrimidine has a molecular weight of 108.14 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyrimidine is sourced from PubChem (CID 572516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).