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

C8H8ClN5S — CID 169461709

IUPAC5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
SMILESCSc1ncc(C=CCN=[N+]=[N-])c(Cl)n1
InChIInChI=1S/C8H8ClN5S/c1-15-8-11-5-6(7(9)13-8)3-2-4-12-14-10/h2-3,5H,4H2,1H3
InChIKeyBFOMOHBJXRLLNR-UHFFFAOYSA-N
MW241.71 g/mol
LogP3.18
Rot. Bonds4

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

5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine (PubChem CID 169461709) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
PubChem CID169461709
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
SMILESCSc1ncc(C=CCN=[N+]=[N-])c(Cl)n1
InChIInChI=1S/C8H8ClN5S/c1-15-8-11-5-6(7(9)13-8)3-2-4-12-14-10/h2-3,5H,4H2,1H3
InChIKeyBFOMOHBJXRLLNR-UHFFFAOYSA-N
XLogP3.18
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
CID 169461396
5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169462114
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414
4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
CID 169462754
5-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 169462392
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852150
3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine
CID 169461551
3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine
CID 169461550
1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
CID 169461587
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
3-(3-azidoprop-1-enyl)-6-methoxy-2-methylpyridine
CID 169461835
5-(3-azidoprop-1-enyl)pyrazin-2-amine
CID 169461316

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine?
The IUPAC name of 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine (CID 169461709) is 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine is CSc1ncc(C=CCN=[N+]=[N-])c(Cl)n1.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine?
The InChIKey is BFOMOHBJXRLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-15-8-11-5-6(7(9)13-8)3-2-4-12-14-10/h2-3,5H,4H2,1H3.
What are the key properties of 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine?
5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine has a molecular weight of 241.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 169461709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).