2-azido-4,6-diphenylpyrimidine;perchloric acid

C16H12ClN5O4 — CID 13157494

IUPAC2-azido-4,6-diphenylpyrimidine;perchloric acid
SMILES[N-]=[N+]=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C16H11N5.ClHO4/c17-21-20-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;2-1(3,4)5/h1-11H;(H,2,3,4,5)
InChIKeyOOORVMXKYFFWNG-UHFFFAOYSA-N
MW373.76 g/mol
LogP0.63
Rot. Bonds3

About 2-azido-4,6-diphenylpyrimidine;perchloric acid

2-azido-4,6-diphenylpyrimidine;perchloric acid (PubChem CID 13157494) has the molecular formula C16H12ClN5O4 and a molecular weight of 373.76 g/mol. Its IUPAC name is 2-azido-4,6-diphenylpyrimidine;perchloric acid.

Molecular Properties

Compound Name2-azido-4,6-diphenylpyrimidine;perchloric acid
PubChem CID13157494
Molecular FormulaC16H12ClN5O4
Molecular Weight373.76 g/mol
Exact Mass373.06
IUPAC Name2-azido-4,6-diphenylpyrimidine;perchloric acid
SMILES[N-]=[N+]=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C16H11N5.ClHO4/c17-21-20-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;2-1(3,4)5/h1-11H;(H,2,3,4,5)
InChIKeyOOORVMXKYFFWNG-UHFFFAOYSA-N
XLogP0.63
TPSA163.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-5,6-diphenyl-1,2,4-triazine
CID 15395171
2,3-diazido-5,6-diphenylpyrazine
CID 14641970
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
5-azido-3-phenyl-1H-1,2,4-triazole
CID 137205279
2-(3-azidophenyl)quinoline-4-carboxylic acid
CID 169325154
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
1-azido-4-bromo-2-phenylbenzene
CID 102165118
4-nitroso-2,6-diphenylpyrimidine
CID 582027
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331

Frequently Asked Questions

What is the IUPAC name of 2-azido-4,6-diphenylpyrimidine;perchloric acid?
The IUPAC name of 2-azido-4,6-diphenylpyrimidine;perchloric acid (CID 13157494) is 2-azido-4,6-diphenylpyrimidine;perchloric acid.
What is the SMILES notation for 2-azido-4,6-diphenylpyrimidine;perchloric acid?
The canonical SMILES for 2-azido-4,6-diphenylpyrimidine;perchloric acid is [N-]=[N+]=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 2-azido-4,6-diphenylpyrimidine;perchloric acid?
The InChIKey is OOORVMXKYFFWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5.ClHO4/c17-21-20-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;2-1(3,4)5/h1-11H;(H,2,3,4,5).
What are the key properties of 2-azido-4,6-diphenylpyrimidine;perchloric acid?
2-azido-4,6-diphenylpyrimidine;perchloric acid has a molecular weight of 373.76 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4,6-diphenylpyrimidine;perchloric acid is sourced from PubChem (CID 13157494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).