5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine

C8H8ClN5 — CID 169461396

IUPAC5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1C=CCN=[N+]=[N-]
InChIInChI=1S/C8H8ClN5/c1-6-7(3-2-4-12-14-10)5-11-8(9)13-6/h2-3,5H,4H2,1H3
InChIKeyVTBILXUNIVXBML-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.76
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine

5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine (PubChem CID 169461396) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
PubChem CID169461396
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1C=CCN=[N+]=[N-]
InChIInChI=1S/C8H8ClN5/c1-6-7(3-2-4-12-14-10)5-11-8(9)13-6/h2-3,5H,4H2,1H3
InChIKeyVTBILXUNIVXBML-UHFFFAOYSA-N
XLogP2.76
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.76
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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Related Compounds

5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
CID 169461709
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
3-(3-azidoprop-1-enyl)-6-methoxy-2-methylpyridine
CID 169461835
4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
CID 169462754
5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
CID 169461419
5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169462114
1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
CID 169461587
3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine
CID 169461550
3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine
CID 169461551
5-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 169462392
3-(4-azidobut-1-enyl)-2,6-dimethylpyridine
CID 170484988

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine?
The IUPAC name of 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine (CID 169461396) is 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine is Cc1nc(Cl)ncc1C=CCN=[N+]=[N-].
What is the InChIKey of 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine?
The InChIKey is VTBILXUNIVXBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-6-7(3-2-4-12-14-10)5-11-8(9)13-6/h2-3,5H,4H2,1H3.
What are the key properties of 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine?
5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine has a molecular weight of 209.64 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine is sourced from PubChem (CID 169461396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).