5-(6-azidopyrimidin-4-yl)oxy-1H-indole

C12H8N6O — CID 86234704

IUPAC5-(6-azidopyrimidin-4-yl)oxy-1H-indole
SMILES[N-]=[N+]=Nc1cc(Oc2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C12H8N6O/c13-18-17-11-6-12(16-7-15-11)19-9-1-2-10-8(5-9)3-4-14-10/h1-7,14H
InChIKeyXTBUJSMJLRFTDY-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.69
Rot. Bonds3

About 5-(6-azidopyrimidin-4-yl)oxy-1H-indole

5-(6-azidopyrimidin-4-yl)oxy-1H-indole (PubChem CID 86234704) has the molecular formula C12H8N6O and a molecular weight of 252.24 g/mol. Its IUPAC name is 5-(6-azidopyrimidin-4-yl)oxy-1H-indole.

Molecular Properties

Compound Name5-(6-azidopyrimidin-4-yl)oxy-1H-indole
PubChem CID86234704
Molecular FormulaC12H8N6O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name5-(6-azidopyrimidin-4-yl)oxy-1H-indole
SMILES[N-]=[N+]=Nc1cc(Oc2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C12H8N6O/c13-18-17-11-6-12(16-7-15-11)19-9-1-2-10-8(5-9)3-4-14-10/h1-7,14H
InChIKeyXTBUJSMJLRFTDY-UHFFFAOYSA-N
XLogP3.69
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
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 5-(6-azidopyrimidin-4-yl)oxy-1H-indole?
The IUPAC name of 5-(6-azidopyrimidin-4-yl)oxy-1H-indole (CID 86234704) is 5-(6-azidopyrimidin-4-yl)oxy-1H-indole.
What is the SMILES notation for 5-(6-azidopyrimidin-4-yl)oxy-1H-indole?
The canonical SMILES for 5-(6-azidopyrimidin-4-yl)oxy-1H-indole is [N-]=[N+]=Nc1cc(Oc2ccc3[nH]ccc3c2)ncn1.
What is the InChIKey of 5-(6-azidopyrimidin-4-yl)oxy-1H-indole?
The InChIKey is XTBUJSMJLRFTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O/c13-18-17-11-6-12(16-7-15-11)19-9-1-2-10-8(5-9)3-4-14-10/h1-7,14H.
What are the key properties of 5-(6-azidopyrimidin-4-yl)oxy-1H-indole?
5-(6-azidopyrimidin-4-yl)oxy-1H-indole has a molecular weight of 252.24 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azidopyrimidin-4-yl)oxy-1H-indole is sourced from PubChem (CID 86234704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).