5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine

C7H7Cl2N5 — CID 130505380

IUPAC5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine
SMILESCc1nc(Cl)nc(Cl)c1CCN=[N+]=[N-]
InChIInChI=1S/C7H7Cl2N5/c1-4-5(2-3-11-14-10)6(8)13-7(9)12-4/h2-3H2,1H3
InChIKeyWIURYACSXILORB-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.94
Rot. Bonds3

About 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine

5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine (PubChem CID 130505380) has the molecular formula C7H7Cl2N5 and a molecular weight of 232.07 g/mol. Its IUPAC name is 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine.

Molecular Properties

Compound Name5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine
PubChem CID130505380
Molecular FormulaC7H7Cl2N5
Molecular Weight232.07 g/mol
Exact Mass231.01
IUPAC Name5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine
SMILESCc1nc(Cl)nc(Cl)c1CCN=[N+]=[N-]
InChIInChI=1S/C7H7Cl2N5/c1-4-5(2-3-11-14-10)6(8)13-7(9)12-4/h2-3H2,1H3
InChIKeyWIURYACSXILORB-UHFFFAOYSA-N
XLogP2.94
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.94
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 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine?
The IUPAC name of 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine (CID 130505380) is 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine.
What is the SMILES notation for 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine?
The canonical SMILES for 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine is Cc1nc(Cl)nc(Cl)c1CCN=[N+]=[N-].
What is the InChIKey of 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine?
The InChIKey is WIURYACSXILORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N5/c1-4-5(2-3-11-14-10)6(8)13-7(9)12-4/h2-3H2,1H3.
What are the key properties of 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine?
5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine has a molecular weight of 232.07 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine is sourced from PubChem (CID 130505380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).