4-ethenyl-2-methylsulfanylpyrimidine

C7H8N2S — CID 11051858

IUPAC4-ethenyl-2-methylsulfanylpyrimidine
SMILESC=Cc1ccnc(SC)n1
InChIInChI=1S/C7H8N2S/c1-3-6-4-5-8-7(9-6)10-2/h3-5H,1H2,2H3
InChIKeyMQIWEDJQUUEMLB-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.84
Rot. Bonds2

About 4-ethenyl-2-methylsulfanylpyrimidine

4-ethenyl-2-methylsulfanylpyrimidine (PubChem CID 11051858) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-ethenyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-ethenyl-2-methylsulfanylpyrimidine
PubChem CID11051858
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name4-ethenyl-2-methylsulfanylpyrimidine
SMILESC=Cc1ccnc(SC)n1
InChIInChI=1S/C7H8N2S/c1-3-6-4-5-8-7(9-6)10-2/h3-5H,1H2,2H3
InChIKeyMQIWEDJQUUEMLB-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethenyl-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

2-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
4-Methyl-2-(methylsulfanyl)pyrimidine
CID 821261
2-((4-Methylpyrimidin-2-yl)thio)acetamide
CID 863173
2-Chloro-4-methylpyrimidine
CID 11629607
2-Fluoro-4-methylpyrimidine
CID 17804394
2-Chloro-4-ethenylpyrimidine
CID 45080173
2-(Methylthio)-4-(trifluoromethyl)pyrimidine
CID 2780414
Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78585
Ethenamine, N,N-dimethyl-2-(4-pyrimidinyl)-
CID 6433770
2-Bromo-4-methylpyrimidine
CID 10942928
2-Azido-4-methylpyrimidine
CID 46900520

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-ethenyl-2-methylsulfanylpyrimidine (CID 11051858) is 4-ethenyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-ethenyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-ethenyl-2-methylsulfanylpyrimidine is C=Cc1ccnc(SC)n1.
What is the InChIKey of 4-ethenyl-2-methylsulfanylpyrimidine?
The InChIKey is MQIWEDJQUUEMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-3-6-4-5-8-7(9-6)10-2/h3-5H,1H2,2H3.
What are the key properties of 4-ethenyl-2-methylsulfanylpyrimidine?
4-ethenyl-2-methylsulfanylpyrimidine has a molecular weight of 152.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 11051858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).