(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine

C12H11N3O — CID 10846258

IUPAC(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
SMILESCOc1ccc(/C=N/c2ncccn2)cc1
InChIInChI=1S/C12H11N3O/c1-16-11-5-3-10(4-6-11)9-15-12-13-7-2-8-14-12/h2-9H,1H3/b15-9+
InChIKeyITONRRRTZAKOPL-OQLLNIDSSA-N
MW213.24 g/mol
LogP2.24
Rot. Bonds3

About (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine

(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine (PubChem CID 10846258) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
PubChem CID10846258
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
SMILESCOc1ccc(/C=N/c2ncccn2)cc1
InChIInChI=1S/C12H11N3O/c1-16-11-5-3-10(4-6-11)9-15-12-13-7-2-8-14-12/h2-9H,1H3/b15-9+
InChIKeyITONRRRTZAKOPL-OQLLNIDSSA-N
XLogP2.24
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine
CID 10798180
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
1-(4-methoxyphenyl)-N-triethylsilylmethanimine
CID 122380757
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 71317432
4-(pyrimidin-2-yliminomethyl)benzene-1,2-diol
CID 3473364
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine (CID 10846258) is (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine is COc1ccc(/C=N/c2ncccn2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine?
The InChIKey is ITONRRRTZAKOPL-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H11N3O/c1-16-11-5-3-10(4-6-11)9-15-12-13-7-2-8-14-12/h2-9H,1H3/b15-9+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine?
(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine has a molecular weight of 213.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine is sourced from PubChem (CID 10846258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).