4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine

C22H17N5 — CID 10689276

IUPAC4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c(/N=N/c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H17N5/c23-22-24-19(16-10-4-1-5-11-16)21(27-26-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15H,(H2,23,24,25)/b27-26+
InChIKeyCXCJZZXIKFKLPG-CYYJNZCTSA-N
MW351.41 g/mol
LogP5.81
Rot. Bonds4

About 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine

4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine (PubChem CID 10689276) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
PubChem CID10689276
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c(/N=N/c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H17N5/c23-22-24-19(16-10-4-1-5-11-16)21(27-26-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15H,(H2,23,24,25)/b27-26+
InChIKeyCXCJZZXIKFKLPG-CYYJNZCTSA-N
XLogP5.81
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine 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

5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
CID 13492990
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101453864
3-phenyldiazenylpyridine-2,6-diamine;hydrate
CID 139146043
diphenyldiazene;hydrofluoride
CID 174857584
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile
CID 10861499
4-phenylpteridine-2,6,7-triamine
CID 119087986
4-phenylpyrimidine-2,5-diamine
CID 89253384
4,6-diphenylthieno[3,2-d]pyrimidin-2-amine
CID 145380929
3,5-diamino-2,4-bis(phenyldiazenyl)-6-[(4-phenyldiazenylphenyl)diazenyl]benzoic acid
CID 89254790
4-phenyldiazenylpyridine-2,3-diamine;hydrochloride
CID 57365046

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine?
The IUPAC name of 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine (CID 10689276) is 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine.
What is the SMILES notation for 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine?
The canonical SMILES for 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine is Nc1nc(-c2ccccc2)c(/N=N/c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine?
The InChIKey is CXCJZZXIKFKLPG-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H17N5/c23-22-24-19(16-10-4-1-5-11-16)21(27-26-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15H,(H2,23,24,25)/b27-26+.
What are the key properties of 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine?
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine has a molecular weight of 351.41 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine is sourced from PubChem (CID 10689276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).