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

C11H12ClN3O — CID 19370478

IUPAC(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
SMILESClc1ccccc1CO/N=C1\CN=CNC1
InChIInChI=1S/C11H12ClN3O/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)
InChIKeyQAXOKGKSBVLSTQ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.84
Rot. Bonds3

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

(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine (PubChem CID 19370478) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine.

Molecular Properties

Compound Name(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
PubChem CID19370478
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
SMILESClc1ccccc1CO/N=C1\CN=CNC1
InChIInChI=1S/C11H12ClN3O/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)
InChIKeyQAXOKGKSBVLSTQ-UHFFFAOYSA-N
XLogP1.84
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.84
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

(Z)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 19370469
(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 23638738
N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 53868238
(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 19370468
(E)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 19370477
N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine
CID 23469012
N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
CID 57100584
N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 73605607
N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 73605611
1,6-Dihydro-5(4H)-pyrimidinone O-(phenylmethyl)oxime monohydrochloride
CID 73605626
(E)-N-phenylmethoxy-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 88436532
N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 88771912

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine?
The IUPAC name of (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine (CID 19370478) is (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine.
What is the SMILES notation for (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine?
The canonical SMILES for (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine is Clc1ccccc1CO/N=C1\CN=CNC1.
What is the InChIKey of (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine?
The InChIKey is QAXOKGKSBVLSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/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 (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine?
(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine has a molecular weight of 237.69 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine is sourced from PubChem (CID 19370478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).