(3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene

C20H20N4O2 — CID 170922592

IUPAC(3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene
SMILESCOc1ccc(C/N=N/c2nc(C)cc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H20N4O2/c1-14-11-17(16-7-5-4-6-8-16)23-20(22-14)24-21-13-15-9-10-18(25-2)19(12-15)26-3/h4-12H,13H2,1-3H3/b24-21+
InChIKeyGOVDAVVZONERKZ-DARPEHSRSA-N
MW348.41 g/mol
LogP4.75
Rot. Bonds6

About (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene

(3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene (PubChem CID 170922592) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene
PubChem CID170922592
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene
SMILESCOc1ccc(C/N=N/c2nc(C)cc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H20N4O2/c1-14-11-17(16-7-5-4-6-8-16)23-20(22-14)24-21-13-15-9-10-18(25-2)19(12-15)26-3/h4-12H,13H2,1-3H3/b24-21+
InChIKeyGOVDAVVZONERKZ-DARPEHSRSA-N
XLogP4.75
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol
CID 170922516
[2-methoxy-4-[(2H-tetrazol-5-yldiazenyl)methyl]phenyl] thiophene-2-carboxylate
CID 170921680
(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene
CID 91897824
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 27042561
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111202691
4-[(3,4-dimethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 4726013
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
CID 134953177
9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
CID 117068960

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene?
The IUPAC name of (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene (CID 170922592) is (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene is COc1ccc(C/N=N/c2nc(C)cc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene?
The InChIKey is GOVDAVVZONERKZ-DARPEHSRSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-11-17(16-7-5-4-6-8-16)23-20(22-14)24-21-13-15-9-10-18(25-2)19(12-15)26-3/h4-12H,13H2,1-3H3/b24-21+.
What are the key properties of (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene?
(3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene has a molecular weight of 348.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene is sourced from PubChem (CID 170922592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).