(E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine

C10H15N3O — CID 5421395

IUPAC(E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine
SMILESCC/C(C)=N/Oc1nc(C)cc(C)n1
InChIInChI=1S/C10H15N3O/c1-5-7(2)13-14-10-11-8(3)6-9(4)12-10/h6H,5H2,1-4H3/b13-7+
InChIKeyPSLRCOYPVUDDQW-NTUHNPAUSA-N
MW193.25 g/mol
LogP2.26
Rot. Bonds3

About (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine

(E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine (PubChem CID 5421395) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine.

Molecular Properties

Compound Name(E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine
PubChem CID5421395
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine
SMILESCC/C(C)=N/Oc1nc(C)cc(C)n1
InChIInChI=1S/C10H15N3O/c1-5-7(2)13-14-10-11-8(3)6-9(4)12-10/h6H,5H2,1-4H3/b13-7+
InChIKeyPSLRCOYPVUDDQW-NTUHNPAUSA-N
XLogP2.26
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-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 (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine?
The IUPAC name of (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine (CID 5421395) is (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine.
What is the SMILES notation for (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine?
The canonical SMILES for (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine is CC/C(C)=N/Oc1nc(C)cc(C)n1.
What is the InChIKey of (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine?
The InChIKey is PSLRCOYPVUDDQW-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5-7(2)13-14-10-11-8(3)6-9(4)12-10/h6H,5H2,1-4H3/b13-7+.
What are the key properties of (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine?
(E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine has a molecular weight of 193.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,6-dimethylpyrimidin-2-yl)oxybutan-2-imine is sourced from PubChem (CID 5421395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).