(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene

C17H15ClN4O — CID 20578544

IUPAC(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene
SMILESCOc1ccc2ccccc2c1/N=N/c1nc(C)nc(C)c1Cl
InChIInChI=1S/C17H15ClN4O/c1-10-15(18)17(20-11(2)19-10)22-21-16-13-7-5-4-6-12(13)8-9-14(16)23-3/h4-9H,1-3H3/b22-21+
InChIKeyFNVFVOADKXEFBT-QURGRASLSA-N
MW326.79 g/mol
LogP5.32
Rot. Bonds3

About (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene

(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene (PubChem CID 20578544) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene.

Molecular Properties

Compound Name(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene
PubChem CID20578544
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene
SMILESCOc1ccc2ccccc2c1/N=N/c1nc(C)nc(C)c1Cl
InChIInChI=1S/C17H15ClN4O/c1-10-15(18)17(20-11(2)19-10)22-21-16-13-7-5-4-6-12(13)8-9-14(16)23-3/h4-9H,1-3H3/b22-21+
InChIKeyFNVFVOADKXEFBT-QURGRASLSA-N
XLogP5.32
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.79
LogP ≤ 55.32
H-Bond Donors ≤ 50
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

4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline
CID 46885792
6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 123866581
4-Chloro-8-methoxy-2-(2-trifluoromethylphenyl)-quinazoline
CID 21939237
[8-Methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]diazene
CID 71193041
8-Methoxy-4-methyl-2-phenylquinazoline
CID 134914878
1-[(4,6-Dimethylpyrimidin-2-yl)diazenyl]naphthalen-2-ol
CID 136644829
4-Chloro-2-(3-fluoro-4-methoxyphenyl)-5-methylquinazoline
CID 63084645
4-Chloro-5-fluoro-2-(6-methoxynaphthalen-2-yl)-6-methylpyrimidine
CID 65999244
4-Chloro-5-fluoro-2-(2-methoxynaphthalen-1-yl)-6-methylpyrimidine
CID 65999643
4-Chloro-5-fluoro-2-(4-methoxynaphthalen-1-yl)-6-methylpyrimidine
CID 80096660
4-Chloro-2-(4-fluoro-3-methoxyphenyl)-5-methylquinazoline
CID 81288090
4-Chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylquinazoline
CID 102882455

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene?
The IUPAC name of (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene (CID 20578544) is (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene.
What is the SMILES notation for (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene?
The canonical SMILES for (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene is COc1ccc2ccccc2c1/N=N/c1nc(C)nc(C)c1Cl.
What is the InChIKey of (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene?
The InChIKey is FNVFVOADKXEFBT-QURGRASLSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-10-15(18)17(20-11(2)19-10)22-21-16-13-7-5-4-6-12(13)8-9-14(16)23-3/h4-9H,1-3H3/b22-21+.
What are the key properties of (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene?
(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene has a molecular weight of 326.79 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene is sourced from PubChem (CID 20578544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).