5-ethyl-1,4,6-trimethylpyrimidin-2-imine

C9H15N3 — CID 131859026

IUPAC5-ethyl-1,4,6-trimethylpyrimidin-2-imine
SMILES[H]/N=c1\nc(C)c(CC)c(C)n1C
InChIInChI=1S/C9H15N3/c1-5-8-6(2)11-9(10)12(4)7(8)3/h10H,5H2,1-4H3/b10-9+
InChIKeyZDZFOCNAOCCGQC-MDZDMXLPSA-N
MW165.24 g/mol
LogP1.08
Rot. Bonds1

About 5-ethyl-1,4,6-trimethylpyrimidin-2-imine

5-ethyl-1,4,6-trimethylpyrimidin-2-imine (PubChem CID 131859026) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-ethyl-1,4,6-trimethylpyrimidin-2-imine.

Molecular Properties

Compound Name5-ethyl-1,4,6-trimethylpyrimidin-2-imine
PubChem CID131859026
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-ethyl-1,4,6-trimethylpyrimidin-2-imine
SMILES[H]/N=c1\nc(C)c(CC)c(C)n1C
InChIInChI=1S/C9H15N3/c1-5-8-6(2)11-9(10)12(4)7(8)3/h10H,5H2,1-4H3/b10-9+
InChIKeyZDZFOCNAOCCGQC-MDZDMXLPSA-N
XLogP1.08
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4,6-trimethylpyrimidin-2-imine?
The IUPAC name of 5-ethyl-1,4,6-trimethylpyrimidin-2-imine (CID 131859026) is 5-ethyl-1,4,6-trimethylpyrimidin-2-imine.
What is the SMILES notation for 5-ethyl-1,4,6-trimethylpyrimidin-2-imine?
The canonical SMILES for 5-ethyl-1,4,6-trimethylpyrimidin-2-imine is [H]/N=c1\nc(C)c(CC)c(C)n1C.
What is the InChIKey of 5-ethyl-1,4,6-trimethylpyrimidin-2-imine?
The InChIKey is ZDZFOCNAOCCGQC-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-8-6(2)11-9(10)12(4)7(8)3/h10H,5H2,1-4H3/b10-9+.
What are the key properties of 5-ethyl-1,4,6-trimethylpyrimidin-2-imine?
5-ethyl-1,4,6-trimethylpyrimidin-2-imine has a molecular weight of 165.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4,6-trimethylpyrimidin-2-imine is sourced from PubChem (CID 131859026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).