5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione

C23H18N4OS — CID 11718242

IUPAC5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione
SMILESCOc1ccccc1/N=N/C1C(c2ccccc2)=NC(=S)N=C1c1ccccc1
InChIInChI=1S/C23H18N4OS/c1-28-19-15-9-8-14-18(19)26-27-22-20(16-10-4-2-5-11-16)24-23(29)25-21(22)17-12-6-3-7-13-17/h2-15,22H,1H3/b27-26+
InChIKeyQXSOQUOREPXDMO-CYYJNZCTSA-N
MW398.49 g/mol
LogP5.42
Rot. Bonds5

About 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione

5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione (PubChem CID 11718242) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione
PubChem CID11718242
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione
SMILESCOc1ccccc1/N=N/C1C(c2ccccc2)=NC(=S)N=C1c1ccccc1
InChIInChI=1S/C23H18N4OS/c1-28-19-15-9-8-14-18(19)26-27-22-20(16-10-4-2-5-11-16)24-23(29)25-21(22)17-12-6-3-7-13-17/h2-15,22H,1H3/b27-26+
InChIKeyQXSOQUOREPXDMO-CYYJNZCTSA-N
XLogP5.42
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione
CID 11516842
bis(2-methoxyphenyl)diazene
CID 11947
3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione
CID 87517731
3-benzyl-5-[(2-methoxyphenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 165343537
1-methoxy-2-(sulfinylamino)benzene
CID 598052
dimethyl-bis(2-phenylphenoxy)silane
CID 91734394
4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
CID 18161
4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 5238721
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 22137
3-(4-aminophenyl)-4-[(2-methoxyphenyl)diazenyl]pyrazole-1-carbothioamide
CID 144624600
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione?
The IUPAC name of 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione (CID 11718242) is 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione.
What is the SMILES notation for 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione?
The canonical SMILES for 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione is COc1ccccc1/N=N/C1C(c2ccccc2)=NC(=S)N=C1c1ccccc1.
What is the InChIKey of 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione?
The InChIKey is QXSOQUOREPXDMO-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-28-19-15-9-8-14-18(19)26-27-22-20(16-10-4-2-5-11-16)24-23(29)25-21(22)17-12-6-3-7-13-17/h2-15,22H,1H3/b27-26+.
What are the key properties of 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione?
5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione has a molecular weight of 398.49 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione is sourced from PubChem (CID 11718242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).