4,5,6-trimethylpyrimidine

C7H10N2 — CID 18736669

IUPAC4,5,6-trimethylpyrimidine
SMILESCc1ncnc(C)c1C
InChIInChI=1S/C7H10N2/c1-5-6(2)8-4-9-7(5)3/h4H,1-3H3
InChIKeyHLTWPEDCRAMGSW-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.40
Rot. Bonds

About 4,5,6-trimethylpyrimidine

4,5,6-trimethylpyrimidine (PubChem CID 18736669) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name4,5,6-trimethylpyrimidine
PubChem CID18736669
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4,5,6-trimethylpyrimidine
SMILESCc1ncnc(C)c1C
InChIInChI=1S/C7H10N2/c1-5-6(2)8-4-9-7(5)3/h4H,1-3H3
InChIKeyHLTWPEDCRAMGSW-UHFFFAOYSA-N
XLogP1.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethylpyrimidine?
The IUPAC name of 4,5,6-trimethylpyrimidine (CID 18736669) is 4,5,6-trimethylpyrimidine.
What is the SMILES notation for 4,5,6-trimethylpyrimidine?
The canonical SMILES for 4,5,6-trimethylpyrimidine is Cc1ncnc(C)c1C.
What is the InChIKey of 4,5,6-trimethylpyrimidine?
The InChIKey is HLTWPEDCRAMGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-6(2)8-4-9-7(5)3/h4H,1-3H3.
What are the key properties of 4,5,6-trimethylpyrimidine?
4,5,6-trimethylpyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethylpyrimidine is sourced from PubChem (CID 18736669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).