(5-ethyl-1-methylpyrimidin-2-ylidene)methanimine

C8H11N3 — CID 23423842

IUPAC(5-ethyl-1-methylpyrimidin-2-ylidene)methanimine
SMILESCCC1=CN(C)C(=C=N)N=C1
InChIInChI=1S/C8H11N3/c1-3-7-5-10-8(4-9)11(2)6-7/h5-6,9H,3H2,1-2H3
InChIKeyVGHTUBCQSIHFLF-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.39
Rot. Bonds1

About (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine

(5-ethyl-1-methylpyrimidin-2-ylidene)methanimine (PubChem CID 23423842) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine.

Molecular Properties

Compound Name(5-ethyl-1-methylpyrimidin-2-ylidene)methanimine
PubChem CID23423842
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(5-ethyl-1-methylpyrimidin-2-ylidene)methanimine
SMILESCCC1=CN(C)C(=C=N)N=C1
InChIInChI=1S/C8H11N3/c1-3-7-5-10-8(4-9)11(2)6-7/h5-6,9H,3H2,1-2H3
InChIKeyVGHTUBCQSIHFLF-UHFFFAOYSA-N
XLogP1.39
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine?
The IUPAC name of (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine (CID 23423842) is (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine.
What is the SMILES notation for (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine?
The canonical SMILES for (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine is CCC1=CN(C)C(=C=N)N=C1.
What is the InChIKey of (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine?
The InChIKey is VGHTUBCQSIHFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-7-5-10-8(4-9)11(2)6-7/h5-6,9H,3H2,1-2H3.
What are the key properties of (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine?
(5-ethyl-1-methylpyrimidin-2-ylidene)methanimine has a molecular weight of 149.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-methylpyrimidin-2-ylidene)methanimine is sourced from PubChem (CID 23423842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).