4-azido-2-phenylpyrimidine

C10H7N5 — CID 13157501

IUPAC4-azido-2-phenylpyrimidine
SMILES[N-]=[N+]=Nc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C10H7N5/c11-15-14-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyINXDKASDFDYXJY-UHFFFAOYSA-N
MW197.20 g/mol
LogP3.09
Rot. Bonds2

About 4-azido-2-phenylpyrimidine

4-azido-2-phenylpyrimidine (PubChem CID 13157501) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-azido-2-phenylpyrimidine.

Molecular Properties

Compound Name4-azido-2-phenylpyrimidine
PubChem CID13157501
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name4-azido-2-phenylpyrimidine
SMILES[N-]=[N+]=Nc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C10H7N5/c11-15-14-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyINXDKASDFDYXJY-UHFFFAOYSA-N
XLogP3.09
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-azido-2-phenylpyrimidine?
The IUPAC name of 4-azido-2-phenylpyrimidine (CID 13157501) is 4-azido-2-phenylpyrimidine.
What is the SMILES notation for 4-azido-2-phenylpyrimidine?
The canonical SMILES for 4-azido-2-phenylpyrimidine is [N-]=[N+]=Nc1ccnc(-c2ccccc2)n1.
What is the InChIKey of 4-azido-2-phenylpyrimidine?
The InChIKey is INXDKASDFDYXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c11-15-14-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-azido-2-phenylpyrimidine?
4-azido-2-phenylpyrimidine has a molecular weight of 197.20 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-phenylpyrimidine is sourced from PubChem (CID 13157501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).