2-(4-azidophenoxy)-4,6-dimethylpyrimidine

C12H11N5O — CID 150267035

IUPAC2-(4-azidophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2ccc(N=[N+]=[N-])cc2)n1
InChIInChI=1S/C12H11N5O/c1-8-7-9(2)15-12(14-8)18-11-5-3-10(4-6-11)16-17-13/h3-7H,1-2H3
InChIKeyGCTJWKVDMUZPQG-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-azidophenoxy)-4,6-dimethylpyrimidine

2-(4-azidophenoxy)-4,6-dimethylpyrimidine (PubChem CID 150267035) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(4-azidophenoxy)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(4-azidophenoxy)-4,6-dimethylpyrimidine
PubChem CID150267035
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-(4-azidophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2ccc(N=[N+]=[N-])cc2)n1
InChIInChI=1S/C12H11N5O/c1-8-7-9(2)15-12(14-8)18-11-5-3-10(4-6-11)16-17-13/h3-7H,1-2H3
InChIKeyGCTJWKVDMUZPQG-UHFFFAOYSA-N
XLogP3.83
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(4-azidophenoxy)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(4-azidophenoxy)-4,6-dimethylpyrimidine (CID 150267035) is 2-(4-azidophenoxy)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(4-azidophenoxy)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(4-azidophenoxy)-4,6-dimethylpyrimidine is Cc1cc(C)nc(Oc2ccc(N=[N+]=[N-])cc2)n1.
What is the InChIKey of 2-(4-azidophenoxy)-4,6-dimethylpyrimidine?
The InChIKey is GCTJWKVDMUZPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-7-9(2)15-12(14-8)18-11-5-3-10(4-6-11)16-17-13/h3-7H,1-2H3.
What are the key properties of 2-(4-azidophenoxy)-4,6-dimethylpyrimidine?
2-(4-azidophenoxy)-4,6-dimethylpyrimidine has a molecular weight of 241.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidophenoxy)-4,6-dimethylpyrimidine is sourced from PubChem (CID 150267035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).