1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol

C15H11N3O — CID 2306503

IUPAC1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1ncccn1
InChIInChI=1S/C15H11N3O/c19-14-7-6-11-4-1-2-5-12(11)13(14)10-18-15-16-8-3-9-17-15/h1-10,19H
InChIKeyQPIQQOASISHHEZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.09
Rot. Bonds2

About 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol

1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol (PubChem CID 2306503) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol
PubChem CID2306503
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1ncccn1
InChIInChI=1S/C15H11N3O/c19-14-7-6-11-4-1-2-5-12(11)13(14)10-18-15-16-8-3-9-17-15/h1-10,19H
InChIKeyQPIQQOASISHHEZ-UHFFFAOYSA-N
XLogP3.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890718
1-(4-Methyl-2-pyridyliminomethyl)-2-naphthol
CID 809927
5-(6-Methoxynaphthalen-2-yl)pyrimidine
CID 11586722
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-prop-2-enylphenol
CID 14570146
8-Chloro-7-pyrimidin-5-ylnaphthalen-2-ol
CID 71818234
2-Hydroxy-1-naphthaldehyde (4-amino-6-chloro-2-pyrimidinyl)hydrazone
CID 135401426
1-[(Pyridin-2-ylamino)methyl]naphthalen-2-ol
CID 759948
Fto-IN-2
CID 156278165
1-(2-Pyridyliminomethyl)-2-naphthol
CID 556235
2-(2-Hydroxy-1-naphthylmethyleneamino)-3-methylpyridine
CID 810225
2-(7-Methoxynaphthalen-2-yl)oxypyrimidine
CID 2608253
2-((4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl)methyl)-3'-methyl-[1,1'-biphenyl]-4-ol
CID 53257077

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol (CID 2306503) is 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1C=Nc1ncccn1.
What is the InChIKey of 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol?
The InChIKey is QPIQQOASISHHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-14-7-6-11-4-1-2-5-12(11)13(14)10-18-15-16-8-3-9-17-15/h1-10,19H.
What are the key properties of 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol?
1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol has a molecular weight of 249.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-yliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 2306503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).