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

C12H19N3O — CID 5417820

IUPAC(E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine
SMILESC/C(CC(C)C)=N\Oc1nc(C)cc(C)n1
InChIInChI=1S/C12H19N3O/c1-8(2)6-11(5)15-16-12-13-9(3)7-10(4)14-12/h7-8H,6H2,1-5H3/b15-11+
InChIKeyMMZJKSVFQORMFM-RVDMUPIBSA-N
MW221.30 g/mol
LogP2.89
Rot. Bonds4

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

(E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine (PubChem CID 5417820) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine.

Molecular Properties

Compound Name(E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine
PubChem CID5417820
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine
SMILESC/C(CC(C)C)=N\Oc1nc(C)cc(C)n1
InChIInChI=1S/C12H19N3O/c1-8(2)6-11(5)15-16-12-13-9(3)7-10(4)14-12/h7-8H,6H2,1-5H3/b15-11+
InChIKeyMMZJKSVFQORMFM-RVDMUPIBSA-N
XLogP2.89
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.89
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine?
The IUPAC name of (E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine (CID 5417820) is (E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine.
What is the SMILES notation for (E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine?
The canonical SMILES for (E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine is C/C(CC(C)C)=N\Oc1nc(C)cc(C)n1.
What is the InChIKey of (E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine?
The InChIKey is MMZJKSVFQORMFM-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)6-11(5)15-16-12-13-9(3)7-10(4)14-12/h7-8H,6H2,1-5H3/b15-11+.
What are the key properties of (E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine?
(E)-N-(4,6-dimethylpyrimidin-2-yl)oxy-4-methylpentan-2-imine has a molecular weight of 221.30 g/mol, XLogP of 2.89, 4 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)oxy-4-methylpentan-2-imine is sourced from PubChem (CID 5417820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).