4-azido-6-propylpyrimidine

C7H9N5 — CID 80583555

IUPAC4-azido-6-propylpyrimidine
SMILESCCCc1cc(N=[N+]=[N-])ncn1
InChIInChI=1S/C7H9N5/c1-2-3-6-4-7(11-12-8)10-5-9-6/h4-5H,2-3H2,1H3
InChIKeyPOCKRMNYKMJPRX-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.37
Rot. Bonds3

About 4-azido-6-propylpyrimidine

4-azido-6-propylpyrimidine (PubChem CID 80583555) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-azido-6-propylpyrimidine.

Molecular Properties

Compound Name4-azido-6-propylpyrimidine
PubChem CID80583555
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name4-azido-6-propylpyrimidine
SMILESCCCc1cc(N=[N+]=[N-])ncn1
InChIInChI=1S/C7H9N5/c1-2-3-6-4-7(11-12-8)10-5-9-6/h4-5H,2-3H2,1H3
InChIKeyPOCKRMNYKMJPRX-UHFFFAOYSA-N
XLogP2.37
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.37
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-azido-6-propylpyrimidine?
The IUPAC name of 4-azido-6-propylpyrimidine (CID 80583555) is 4-azido-6-propylpyrimidine.
What is the SMILES notation for 4-azido-6-propylpyrimidine?
The canonical SMILES for 4-azido-6-propylpyrimidine is CCCc1cc(N=[N+]=[N-])ncn1.
What is the InChIKey of 4-azido-6-propylpyrimidine?
The InChIKey is POCKRMNYKMJPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-3-6-4-7(11-12-8)10-5-9-6/h4-5H,2-3H2,1H3.
What are the key properties of 4-azido-6-propylpyrimidine?
4-azido-6-propylpyrimidine has a molecular weight of 163.18 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6-propylpyrimidine is sourced from PubChem (CID 80583555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).