(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine

C13H12ClN3O — CID 142638631

IUPAC(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine
SMILESC/C(=N\OCc1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C13H12ClN3O/c1-10(12-6-15-9-16-7-12)17-18-8-11-2-4-13(14)5-3-11/h2-7,9H,8H2,1H3/b17-10+
InChIKeyJUYQHZAGDOPKOJ-LICLKQGHSA-N
MW261.71 g/mol
LogP3.07
Rot. Bonds4

About (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine

(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine (PubChem CID 142638631) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine
PubChem CID142638631
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine
SMILESC/C(=N\OCc1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C13H12ClN3O/c1-10(12-6-15-9-16-7-12)17-18-8-11-2-4-13(14)5-3-11/h2-7,9H,8H2,1H3/b17-10+
InChIKeyJUYQHZAGDOPKOJ-LICLKQGHSA-N
XLogP3.07
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.07
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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Related Compounds

(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957258
2-chloro-5-(chloromethyl)pyridine;(E)-N-[(6-chloro-3-pyridinyl)methoxy]-1-phenylethanimine
CID 172923151
2-[5-[(Z)-N-[(4-chlorophenyl)methoxy]-C-methylcarbonimidoyl]thiophen-2-yl]acetonitrile
CID 6346538
(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 88721100
(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
CID 89317369
(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
CID 42935131
3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54527494
(Z)-N-[(4-chlorophenyl)methoxy]ethanimine
CID 97307953
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 3059120
2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 6914396
3-[5-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]pyrimidin-2-yl]propanoic acid
CID 76528400

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine?
The IUPAC name of (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine (CID 142638631) is (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine?
The canonical SMILES for (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine is C/C(=N\OCc1ccc(Cl)cc1)c1cncnc1.
What is the InChIKey of (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine?
The InChIKey is JUYQHZAGDOPKOJ-LICLKQGHSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-10(12-6-15-9-16-7-12)17-18-8-11-2-4-13(14)5-3-11/h2-7,9H,8H2,1H3/b17-10+.
What are the key properties of (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine?
(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine has a molecular weight of 261.71 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine is sourced from PubChem (CID 142638631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).