(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine

C11H12FN3O — CID 23638738

IUPAC(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
SMILESFc1ccccc1CO/N=C1/CN=CNC1
InChIInChI=1S/C11H12FN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-4,8H,5-7H2,(H,13,14)
InChIKeyHBHBDGPYCKVXDG-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.33
Rot. Bonds3

About (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine

(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine (PubChem CID 23638738) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine.

Molecular Properties

Compound Name(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
PubChem CID23638738
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
SMILESFc1ccccc1CO/N=C1/CN=CNC1
InChIInChI=1S/C11H12FN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-4,8H,5-7H2,(H,13,14)
InChIKeyHBHBDGPYCKVXDG-UHFFFAOYSA-N
XLogP1.33
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
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-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine?
The IUPAC name of (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine (CID 23638738) is (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine.
What is the SMILES notation for (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine?
The canonical SMILES for (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine is Fc1ccccc1CO/N=C1/CN=CNC1.
What is the InChIKey of (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine?
The InChIKey is HBHBDGPYCKVXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-4,8H,5-7H2,(H,13,14).
What are the key properties of (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine?
(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine has a molecular weight of 221.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine is sourced from PubChem (CID 23638738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).