4,6-diethyl-2-methylpyrimidine

C9H14N2 — CID 45080277

IUPAC4,6-diethyl-2-methylpyrimidine
SMILESCCc1cc(CC)nc(C)n1
InChIInChI=1S/C9H14N2/c1-4-8-6-9(5-2)11-7(3)10-8/h6H,4-5H2,1-3H3
InChIKeyXAIIGYCKNXXUCX-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.91
Rot. Bonds2

About 4,6-diethyl-2-methylpyrimidine

4,6-diethyl-2-methylpyrimidine (PubChem CID 45080277) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4,6-diethyl-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-diethyl-2-methylpyrimidine
PubChem CID45080277
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4,6-diethyl-2-methylpyrimidine
SMILESCCc1cc(CC)nc(C)n1
InChIInChI=1S/C9H14N2/c1-4-8-6-9(5-2)11-7(3)10-8/h6H,4-5H2,1-3H3
InChIKeyXAIIGYCKNXXUCX-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2-methylpyrimidine?
The IUPAC name of 4,6-diethyl-2-methylpyrimidine (CID 45080277) is 4,6-diethyl-2-methylpyrimidine.
What is the SMILES notation for 4,6-diethyl-2-methylpyrimidine?
The canonical SMILES for 4,6-diethyl-2-methylpyrimidine is CCc1cc(CC)nc(C)n1.
What is the InChIKey of 4,6-diethyl-2-methylpyrimidine?
The InChIKey is XAIIGYCKNXXUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8-6-9(5-2)11-7(3)10-8/h6H,4-5H2,1-3H3.
What are the key properties of 4,6-diethyl-2-methylpyrimidine?
4,6-diethyl-2-methylpyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-2-methylpyrimidine is sourced from PubChem (CID 45080277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).