N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine

C13H13N3O — CID 90458218

IUPACN-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine
SMILESCOc1ccc(C)cc1/N=C/c1ncccn1
InChIInChI=1S/C13H13N3O/c1-10-4-5-12(17-2)11(8-10)16-9-13-14-6-3-7-15-13/h3-9H,1-2H3/b16-9+
InChIKeyJFCWVGSNRYSIGB-CXUHLZMHSA-N
MW227.27 g/mol
LogP2.54
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine

N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine (PubChem CID 90458218) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine
PubChem CID90458218
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine
SMILESCOc1ccc(C)cc1/N=C/c1ncccn1
InChIInChI=1S/C13H13N3O/c1-10-4-5-12(17-2)11(8-10)16-9-13-14-6-3-7-15-13/h3-9H,1-2H3/b16-9+
InChIKeyJFCWVGSNRYSIGB-CXUHLZMHSA-N
XLogP2.54
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.54
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

N-(2-methoxy-5-methylphenyl)-1-pyrazin-2-ylmethanimine
CID 90458869
CID 174773143
CID 174773143
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylethanimine
CID 118868171
N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine
CID 90457301
[(2-methoxy-5-methylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203659
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine
CID 118868224
N-(5-methyl-2-trimethylsilyloxyphenyl)-1-thiophen-2-ylmethanimine
CID 90457690
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 1272184
3-(aminomethyl)-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 82085145
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine (CID 90458218) is N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine is COc1ccc(C)cc1/N=C/c1ncccn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine?
The InChIKey is JFCWVGSNRYSIGB-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-4-5-12(17-2)11(8-10)16-9-13-14-6-3-7-15-13/h3-9H,1-2H3/b16-9+.
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine?
N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine has a molecular weight of 227.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine is sourced from PubChem (CID 90458218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).