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

C11H13ClFN3O — CID 19370468

IUPAC(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
SMILESCl.Fc1ccccc1CO/N=C1/CN=CNC1
InChIInChI=1S/C11H12FN3O.ClH/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);1H
InChIKeyVQJGUMKQHUQATF-UHFFFAOYSA-N
MW257.70 g/mol
LogP1.75
Rot. Bonds3

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

(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride (PubChem CID 19370468) has the molecular formula C11H13ClFN3O and a molecular weight of 257.70 g/mol. Its IUPAC name is (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride.

Molecular Properties

Compound Name(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
PubChem CID19370468
Molecular FormulaC11H13ClFN3O
Molecular Weight257.70 g/mol
Exact Mass257.07
IUPAC Name(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
SMILESCl.Fc1ccccc1CO/N=C1/CN=CNC1
InChIInChI=1S/C11H12FN3O.ClH/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);1H
InChIKeyVQJGUMKQHUQATF-UHFFFAOYSA-N
XLogP1.75
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 51.75
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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Related Compounds

(E)-N-[[2-(trifluoromethyl)phenyl]methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 19370481
N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
CID 57217288
N-[[2-(trifluoromethyl)phenyl]methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 73605613
(Z)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 19370469
(Z)-N-[[2-(trifluoromethyl)phenyl]methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 19370482
(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 23638738
(Z)-N-[[2-(trifluoromethyl)phenyl]methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 23638741
(E)-N-[[2-(trifluoromethyl)phenyl]methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 23638742
N-[[2-(trifluoromethyl)phenyl]methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 53689085
N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 53868238
(E)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 19370477
N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 73605607

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride?
The IUPAC name of (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride (CID 19370468) is (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride.
What is the SMILES notation for (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride?
The canonical SMILES for (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride is Cl.Fc1ccccc1CO/N=C1/CN=CNC1.
What is the InChIKey of (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride?
The InChIKey is VQJGUMKQHUQATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O.ClH/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);1H.
What are the key properties of (E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride?
(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride has a molecular weight of 257.70 g/mol, XLogP of 1.75, 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;hydrochloride is sourced from PubChem (CID 19370468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).