4-(azidomethyl)pyrimidine

C5H5N5 — CID 118448978

IUPAC4-(azidomethyl)pyrimidine
SMILES[N-]=[N+]=NCc1ccncn1
InChIInChI=1S/C5H5N5/c6-10-9-3-5-1-2-7-4-8-5/h1-2,4H,3H2
InChIKeyINYBRSQBVCWPGJ-UHFFFAOYSA-N
MW135.13 g/mol
LogP1.29
Rot. Bonds2

About 4-(azidomethyl)pyrimidine

4-(azidomethyl)pyrimidine (PubChem CID 118448978) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 4-(azidomethyl)pyrimidine.

Molecular Properties

Compound Name4-(azidomethyl)pyrimidine
PubChem CID118448978
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name4-(azidomethyl)pyrimidine
SMILES[N-]=[N+]=NCc1ccncn1
InChIInChI=1S/C5H5N5/c6-10-9-3-5-1-2-7-4-8-5/h1-2,4H,3H2
InChIKeyINYBRSQBVCWPGJ-UHFFFAOYSA-N
XLogP1.29
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 51.29
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-(azidomethyl)pyrimidine?
The IUPAC name of 4-(azidomethyl)pyrimidine (CID 118448978) is 4-(azidomethyl)pyrimidine.
What is the SMILES notation for 4-(azidomethyl)pyrimidine?
The canonical SMILES for 4-(azidomethyl)pyrimidine is [N-]=[N+]=NCc1ccncn1.
What is the InChIKey of 4-(azidomethyl)pyrimidine?
The InChIKey is INYBRSQBVCWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-10-9-3-5-1-2-7-4-8-5/h1-2,4H,3H2.
What are the key properties of 4-(azidomethyl)pyrimidine?
4-(azidomethyl)pyrimidine has a molecular weight of 135.13 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)pyrimidine is sourced from PubChem (CID 118448978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).