5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine

C8H10N4 — CID 166657727

IUPAC5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine
SMILESC=C/N=C1\C=NC(C)=N\C1=N/C
InChIInChI=1S/C8H10N4/c1-4-10-7-5-11-6(2)12-8(7)9-3/h4-5H,1H2,2-3H3/b9-8-,10-7+
InChIKeyMAZASAMMEZKSEY-ABGYPUNPSA-N
MW162.20 g/mol
LogP1.10
Rot. Bonds1

About 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine

5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine (PubChem CID 166657727) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine.

Molecular Properties

Compound Name5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine
PubChem CID166657727
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine
SMILESC=C/N=C1\C=NC(C)=N\C1=N/C
InChIInChI=1S/C8H10N4/c1-4-10-7-5-11-6(2)12-8(7)9-3/h4-5H,1H2,2-3H3/b9-8-,10-7+
InChIKeyMAZASAMMEZKSEY-ABGYPUNPSA-N
XLogP1.10
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine?
The IUPAC name of 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine (CID 166657727) is 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine.
What is the SMILES notation for 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine?
The canonical SMILES for 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine is C=C/N=C1\C=NC(C)=N\C1=N/C.
What is the InChIKey of 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine?
The InChIKey is MAZASAMMEZKSEY-ABGYPUNPSA-N. The full InChI is InChI=1S/C8H10N4/c1-4-10-7-5-11-6(2)12-8(7)9-3/h4-5H,1H2,2-3H3/b9-8-,10-7+.
What are the key properties of 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine?
5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine has a molecular weight of 162.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethenyl-4-N,2-dimethylpyrimidine-4,5-diimine is sourced from PubChem (CID 166657727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).