2-azido-4-methylpyrimidine

C5H5N5 — CID 46900520

IUPAC2-azido-4-methylpyrimidine
SMILESCc1ccnc(N=[N+]=[N-])n1
InChIInChI=1S/C5H5N5/c1-4-2-3-7-5(8-4)9-10-6/h2-3H,1H3
InChIKeyGYKJYQABXCUVRR-UHFFFAOYSA-N
MW135.13 g/mol
LogP1.73
Rot. Bonds1

About 2-azido-4-methylpyrimidine

2-azido-4-methylpyrimidine (PubChem CID 46900520) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-azido-4-methylpyrimidine.

Molecular Properties

Compound Name2-azido-4-methylpyrimidine
PubChem CID46900520
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name2-azido-4-methylpyrimidine
SMILESCc1ccnc(N=[N+]=[N-])n1
InChIInChI=1S/C5H5N5/c1-4-2-3-7-5(8-4)9-10-6/h2-3H,1H3
InChIKeyGYKJYQABXCUVRR-UHFFFAOYSA-N
XLogP1.73
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 51.73
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 2-azido-4-methylpyrimidine?
The IUPAC name of 2-azido-4-methylpyrimidine (CID 46900520) is 2-azido-4-methylpyrimidine.
What is the SMILES notation for 2-azido-4-methylpyrimidine?
The canonical SMILES for 2-azido-4-methylpyrimidine is Cc1ccnc(N=[N+]=[N-])n1.
What is the InChIKey of 2-azido-4-methylpyrimidine?
The InChIKey is GYKJYQABXCUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-4-2-3-7-5(8-4)9-10-6/h2-3H,1H3.
What are the key properties of 2-azido-4-methylpyrimidine?
2-azido-4-methylpyrimidine has a molecular weight of 135.13 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-methylpyrimidine is sourced from PubChem (CID 46900520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).