5-ethenyl-2-methylpyrimidine

C7H8N2 — CID 66848351

IUPAC5-ethenyl-2-methylpyrimidine
SMILESC=Cc1cnc(C)nc1
InChIInChI=1S/C7H8N2/c1-3-7-4-8-6(2)9-5-7/h3-5H,1H2,2H3
InChIKeyCAXDVRWCYBTEPM-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.43
Rot. Bonds1

About 5-ethenyl-2-methylpyrimidine

5-ethenyl-2-methylpyrimidine (PubChem CID 66848351) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 5-ethenyl-2-methylpyrimidine.

Molecular Properties

Compound Name5-ethenyl-2-methylpyrimidine
PubChem CID66848351
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name5-ethenyl-2-methylpyrimidine
SMILESC=Cc1cnc(C)nc1
InChIInChI=1S/C7H8N2/c1-3-7-4-8-6(2)9-5-7/h3-5H,1H2,2H3
InChIKeyCAXDVRWCYBTEPM-UHFFFAOYSA-N
XLogP1.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylpyrimidine?
The IUPAC name of 5-ethenyl-2-methylpyrimidine (CID 66848351) is 5-ethenyl-2-methylpyrimidine.
What is the SMILES notation for 5-ethenyl-2-methylpyrimidine?
The canonical SMILES for 5-ethenyl-2-methylpyrimidine is C=Cc1cnc(C)nc1.
What is the InChIKey of 5-ethenyl-2-methylpyrimidine?
The InChIKey is CAXDVRWCYBTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-7-4-8-6(2)9-5-7/h3-5H,1H2,2H3.
What are the key properties of 5-ethenyl-2-methylpyrimidine?
5-ethenyl-2-methylpyrimidine has a molecular weight of 120.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylpyrimidine is sourced from PubChem (CID 66848351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).