(4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine

C9H13N3 — CID 169185671

IUPAC(4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine
SMILESC/C=C1/N=CN=C(C)/C1=N\CC
InChIInChI=1S/C9H13N3/c1-4-8-9(10-5-2)7(3)11-6-12-8/h4,6H,5H2,1-3H3/b8-4+,10-9+
InChIKeyDLEFECNYQBEBEZ-OOOLMBCVSA-N
MW163.22 g/mol
LogP1.85
Rot. Bonds1

About (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine

(4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine (PubChem CID 169185671) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine.

Molecular Properties

Compound Name(4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine
PubChem CID169185671
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine
SMILESC/C=C1/N=CN=C(C)/C1=N\CC
InChIInChI=1S/C9H13N3/c1-4-8-9(10-5-2)7(3)11-6-12-8/h4,6H,5H2,1-3H3/b8-4+,10-9+
InChIKeyDLEFECNYQBEBEZ-OOOLMBCVSA-N
XLogP1.85
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine 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 (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine?
The IUPAC name of (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine (CID 169185671) is (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine.
What is the SMILES notation for (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine?
The canonical SMILES for (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine is C/C=C1/N=CN=C(C)/C1=N\CC.
What is the InChIKey of (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine?
The InChIKey is DLEFECNYQBEBEZ-OOOLMBCVSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-8-9(10-5-2)7(3)11-6-12-8/h4,6H,5H2,1-3H3/b8-4+,10-9+.
What are the key properties of (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine?
(4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine has a molecular weight of 163.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-ethyl-4-ethylidene-6-methylpyrimidin-5-imine is sourced from PubChem (CID 169185671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).