1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol

C16H14N4O — CID 136644829

IUPAC1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol
SMILESCc1cc(C)nc(/N=N/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C16H14N4O/c1-10-9-11(2)18-16(17-10)20-19-15-13-6-4-3-5-12(13)7-8-14(15)21/h3-9,21H,1-2H3/b20-19+
InChIKeyYIRNIMYIQDIFFL-FMQUCBEESA-N
MW278.32 g/mol
LogP4.37
Rot. Bonds2

About 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol

1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol (PubChem CID 136644829) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol
PubChem CID136644829
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol
SMILESCc1cc(C)nc(/N=N/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C16H14N4O/c1-10-9-11(2)18-16(17-10)20-19-15-13-6-4-3-5-12(13)7-8-14(15)21/h3-9,21H,1-2H3/b20-19+
InChIKeyYIRNIMYIQDIFFL-FMQUCBEESA-N
XLogP4.37
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol
CID 46850257
2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol
CID 135937129
2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol
CID 135937117
9-Phenanthrenol, 10-[2-(2-pyrimidinyl)diazenyl]-
CID 106359
3-(2,4-Diamino-5-methylquinazolin-6-yl)phenol
CID 70691316
1-[(1E)-2-(1-Methyl-1H-1,3-benzodiazol-2-YL)diazen-1-YL]naphthalen-2-OL
CID 2849792
8-Hydroxy-2,5,7-trimethyl-4-phenylquinazoline
CID 129783185
(e)-1-((4,6-Dimethylpyrimidin-2-ylimino)methyl)naphthalen-2-ol
CID 137796821
(1-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-naphthalen-2-ol)
CID 171716346
1-[[6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol
CID 135718509
(5-Chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene
CID 20578544
3-[3-[(2-Amino-6-methylpyrimidin-4-yl)amino]phenyl]phenol
CID 57547917

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol (CID 136644829) is 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol is Cc1cc(C)nc(/N=N/c2c(O)ccc3ccccc23)n1.
What is the InChIKey of 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol?
The InChIKey is YIRNIMYIQDIFFL-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-9-11(2)18-16(17-10)20-19-15-13-6-4-3-5-12(13)7-8-14(15)21/h3-9,21H,1-2H3/b20-19+.
What are the key properties of 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol?
1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol has a molecular weight of 278.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 136644829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).