1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol

C17H13F3N4O2 — CID 135718509

IUPAC1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol
SMILESCOc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F
InChIInChI=1S/C17H13F3N4O2/c1-9-21-15(13(17(18,19)20)16(22-9)26-2)24-23-14-11-6-4-3-5-10(11)7-8-12(14)25/h3-8,25H,1-2H3/b24-23+
InChIKeyJEAWKNRTIVXPOX-WCWDXBQESA-N
MW362.31 g/mol
LogP5.09
Rot. Bonds3

About 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol

1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol (PubChem CID 135718509) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol
PubChem CID135718509
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol
SMILESCOc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F
InChIInChI=1S/C17H13F3N4O2/c1-9-21-15(13(17(18,19)20)16(22-9)26-2)24-23-14-11-6-4-3-5-10(11)7-8-12(14)25/h3-8,25H,1-2H3/b24-23+
InChIKeyJEAWKNRTIVXPOX-WCWDXBQESA-N
XLogP5.09
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.31
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[4-(2,6-Dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]-3-[2-hydroxy-5-(trifluoromethyl)phenyl]urea
CID 70336113
[8-Methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]diazene
CID 71193041
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;ZINC
CID 135718534
1-[[6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;ZINC
CID 135718538
2-[6-Methoxy-2-methyl-5-(trifluoromethyl)-4-pyrimidinylazo]-1-naphthol
CID 135754684
1-[(4,6-Dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol
CID 136644829
4-Methoxy-2-(2-naphthyloxy)-6-(trifluoromethyl)pyrimidine
CID 5152635
(5-Chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene
CID 20578544

Frequently Asked Questions

What is the IUPAC name of 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol (CID 135718509) is 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol is COc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.
What is the InChIKey of 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol?
The InChIKey is JEAWKNRTIVXPOX-WCWDXBQESA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-9-21-15(13(17(18,19)20)16(22-9)26-2)24-23-14-11-6-4-3-5-10(11)7-8-12(14)25/h3-8,25H,1-2H3/b24-23+.
What are the key properties of 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol?
1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol has a molecular weight of 362.31 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135718509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).