4-azido-6-ethoxypyrimidine

C6H7N5O — CID 80583715

IUPAC4-azido-6-ethoxypyrimidine
SMILESCCOc1cc(N=[N+]=[N-])ncn1
InChIInChI=1S/C6H7N5O/c1-2-12-6-3-5(10-11-7)8-4-9-6/h3-4H,2H2,1H3
InChIKeyNPSNXHFCCXKWJL-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.82
Rot. Bonds3

About 4-azido-6-ethoxypyrimidine

4-azido-6-ethoxypyrimidine (PubChem CID 80583715) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 4-azido-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-azido-6-ethoxypyrimidine
PubChem CID80583715
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name4-azido-6-ethoxypyrimidine
SMILESCCOc1cc(N=[N+]=[N-])ncn1
InChIInChI=1S/C6H7N5O/c1-2-12-6-3-5(10-11-7)8-4-9-6/h3-4H,2H2,1H3
InChIKeyNPSNXHFCCXKWJL-UHFFFAOYSA-N
XLogP1.82
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.82
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 4-azido-6-ethoxypyrimidine?
The IUPAC name of 4-azido-6-ethoxypyrimidine (CID 80583715) is 4-azido-6-ethoxypyrimidine.
What is the SMILES notation for 4-azido-6-ethoxypyrimidine?
The canonical SMILES for 4-azido-6-ethoxypyrimidine is CCOc1cc(N=[N+]=[N-])ncn1.
What is the InChIKey of 4-azido-6-ethoxypyrimidine?
The InChIKey is NPSNXHFCCXKWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-2-12-6-3-5(10-11-7)8-4-9-6/h3-4H,2H2,1H3.
What are the key properties of 4-azido-6-ethoxypyrimidine?
4-azido-6-ethoxypyrimidine has a molecular weight of 165.16 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6-ethoxypyrimidine is sourced from PubChem (CID 80583715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).