4-azido-6-methoxypyrimidine

C5H5N5O — CID 80583811

IUPAC4-azido-6-methoxypyrimidine
SMILESCOc1cc(N=[N+]=[N-])ncn1
InChIInChI=1S/C5H5N5O/c1-11-5-2-4(9-10-6)7-3-8-5/h2-3H,1H3
InChIKeyKBZHFUYBQZIEPW-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.43
Rot. Bonds2

About 4-azido-6-methoxypyrimidine

4-azido-6-methoxypyrimidine (PubChem CID 80583811) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 4-azido-6-methoxypyrimidine.

Molecular Properties

Compound Name4-azido-6-methoxypyrimidine
PubChem CID80583811
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name4-azido-6-methoxypyrimidine
SMILESCOc1cc(N=[N+]=[N-])ncn1
InChIInChI=1S/C5H5N5O/c1-11-5-2-4(9-10-6)7-3-8-5/h2-3H,1H3
InChIKeyKBZHFUYBQZIEPW-UHFFFAOYSA-N
XLogP1.43
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.43
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-methoxypyrimidine?
The IUPAC name of 4-azido-6-methoxypyrimidine (CID 80583811) is 4-azido-6-methoxypyrimidine.
What is the SMILES notation for 4-azido-6-methoxypyrimidine?
The canonical SMILES for 4-azido-6-methoxypyrimidine is COc1cc(N=[N+]=[N-])ncn1.
What is the InChIKey of 4-azido-6-methoxypyrimidine?
The InChIKey is KBZHFUYBQZIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c1-11-5-2-4(9-10-6)7-3-8-5/h2-3H,1H3.
What are the key properties of 4-azido-6-methoxypyrimidine?
4-azido-6-methoxypyrimidine has a molecular weight of 151.13 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6-methoxypyrimidine is sourced from PubChem (CID 80583811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).