4-ethenylpyrimidine

C6H6N2 — CID 10285785

IUPAC4-ethenylpyrimidine
SMILESC=Cc1ccncn1
InChIInChI=1S/C6H6N2/c1-2-6-3-4-7-5-8-6/h2-5H,1H2
InChIKeyUMKWZZPKADNTRP-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.12
Rot. Bonds1

About 4-ethenylpyrimidine

4-ethenylpyrimidine (PubChem CID 10285785) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 4-ethenylpyrimidine.

Molecular Properties

Compound Name4-ethenylpyrimidine
PubChem CID10285785
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name4-ethenylpyrimidine
SMILESC=Cc1ccncn1
InChIInChI=1S/C6H6N2/c1-2-6-3-4-7-5-8-6/h2-5H,1H2
InChIKeyUMKWZZPKADNTRP-UHFFFAOYSA-N
XLogP1.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylpyrimidine?
The IUPAC name of 4-ethenylpyrimidine (CID 10285785) is 4-ethenylpyrimidine.
What is the SMILES notation for 4-ethenylpyrimidine?
The canonical SMILES for 4-ethenylpyrimidine is C=Cc1ccncn1.
What is the InChIKey of 4-ethenylpyrimidine?
The InChIKey is UMKWZZPKADNTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-6-3-4-7-5-8-6/h2-5H,1H2.
What are the key properties of 4-ethenylpyrimidine?
4-ethenylpyrimidine has a molecular weight of 106.13 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpyrimidine is sourced from PubChem (CID 10285785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).