3-ethenyl-4H-pyrimidine

C6H8N2 — CID 54536105

IUPAC3-ethenyl-4H-pyrimidine
SMILESC=CN1C=NC=CC1
InChIInChI=1S/C6H8N2/c1-2-8-5-3-4-7-6-8/h2-4,6H,1,5H2
InChIKeyYZWSMRJPEGDJBW-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.99
Rot. Bonds1

About 3-ethenyl-4H-pyrimidine

3-ethenyl-4H-pyrimidine (PubChem CID 54536105) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-ethenyl-4H-pyrimidine.

Molecular Properties

Compound Name3-ethenyl-4H-pyrimidine
PubChem CID54536105
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3-ethenyl-4H-pyrimidine
SMILESC=CN1C=NC=CC1
InChIInChI=1S/C6H8N2/c1-2-8-5-3-4-7-6-8/h2-4,6H,1,5H2
InChIKeyYZWSMRJPEGDJBW-UHFFFAOYSA-N
XLogP0.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4H-pyrimidine?
The IUPAC name of 3-ethenyl-4H-pyrimidine (CID 54536105) is 3-ethenyl-4H-pyrimidine.
What is the SMILES notation for 3-ethenyl-4H-pyrimidine?
The canonical SMILES for 3-ethenyl-4H-pyrimidine is C=CN1C=NC=CC1.
What is the InChIKey of 3-ethenyl-4H-pyrimidine?
The InChIKey is YZWSMRJPEGDJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-8-5-3-4-7-6-8/h2-4,6H,1,5H2.
What are the key properties of 3-ethenyl-4H-pyrimidine?
3-ethenyl-4H-pyrimidine has a molecular weight of 108.14 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4H-pyrimidine is sourced from PubChem (CID 54536105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).