N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide

C22H22N6O — CID 159390213

IUPACN',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide
SMILESCc1ccc(-c2nc(C(=O)NN(C)C)c3nc(C)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C22H22N6O/c1-14-10-12-16(13-11-14)20-24-19(22(29)26-27(3)4)18-21(25-20)28(15(2)23-18)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,26,29)
InChIKeyNVETYUABNCFNOH-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.31
Rot. Bonds4

About N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide

N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide (PubChem CID 159390213) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide.

Molecular Properties

Compound NameN',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide
PubChem CID159390213
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide
SMILESCc1ccc(-c2nc(C(=O)NN(C)C)c3nc(C)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C22H22N6O/c1-14-10-12-16(13-11-14)20-24-19(22(29)26-27(3)4)18-21(25-20)28(15(2)23-18)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,26,29)
InChIKeyNVETYUABNCFNOH-UHFFFAOYSA-N
XLogP3.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
CID 51699804
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
9-(3,4-dimethylphenyl)-N,N,7-trimethyl-8-oxo-2-phenylpurine-6-carboxamide
CID 20854911
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
2-(4-ethoxyphenyl)-N-hydroxy-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 130340242
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
N-(2,3-dimethylphenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 995094
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
N-(3,5-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-2,2,2-trifluoroacetamide
CID 155805718
methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 164990652
2,5,6-trimethyl-3-(4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 14118251

Frequently Asked Questions

What is the IUPAC name of N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide?
The IUPAC name of N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide (CID 159390213) is N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide.
What is the SMILES notation for N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide?
The canonical SMILES for N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide is Cc1ccc(-c2nc(C(=O)NN(C)C)c3nc(C)n(-c4ccccc4)c3n2)cc1.
What is the InChIKey of N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide?
The InChIKey is NVETYUABNCFNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-10-12-16(13-11-14)20-24-19(22(29)26-27(3)4)18-21(25-20)28(15(2)23-18)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,26,29).
What are the key properties of N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide?
N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide has a molecular weight of 386.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',8-trimethyl-2-(4-methylphenyl)-9-phenylpurine-6-carbohydrazide is sourced from PubChem (CID 159390213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).