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

C11H13Cl2N3O — CID 23638739

IUPAC(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
SMILESCl.Clc1ccccc1CO/N=C1\CN=CNC1
InChIInChI=1S/C11H12ClN3O.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
InChIKeyIJXFMBPCWIKNPE-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.27
Rot. Bonds3

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

(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride (PubChem CID 23638739) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride.

Molecular Properties

Compound Name(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
PubChem CID23638739
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
SMILESCl.Clc1ccccc1CO/N=C1\CN=CNC1
InChIInChI=1S/C11H12ClN3O.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
InChIKeyIJXFMBPCWIKNPE-UHFFFAOYSA-N
XLogP2.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.27
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;hydrochloride?
The IUPAC name of (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride (CID 23638739) is (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride.
What is the SMILES notation for (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride?
The canonical SMILES for (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride is Cl.Clc1ccccc1CO/N=C1\CN=CNC1.
What is the InChIKey of (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride?
The InChIKey is IJXFMBPCWIKNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O.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 (Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride?
(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride has a molecular weight of 274.15 g/mol, XLogP of 2.27, 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;hydrochloride is sourced from PubChem (CID 23638739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).