5-ethenylpyrimidine

C6H6N2 — CID 639849

IUPAC5-ethenylpyrimidine
SMILESC=Cc1cncnc1
InChIInChI=1S/C6H6N2/c1-2-6-3-7-5-8-4-6/h2-5H,1H2
InChIKeyHXXVIKZQIFTJOQ-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.12
Rot. Bonds1

About 5-ethenylpyrimidine

5-ethenylpyrimidine (PubChem CID 639849) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 5-ethenylpyrimidine.

Molecular Properties

Compound Name5-ethenylpyrimidine
PubChem CID639849
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name5-ethenylpyrimidine
SMILESC=Cc1cncnc1
InChIInChI=1S/C6H6N2/c1-2-6-3-7-5-8-4-6/h2-5H,1H2
InChIKeyHXXVIKZQIFTJOQ-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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Related Compounds

Pyrimidine
CID 9260
5-Methylpyrimidine
CID 74859
5-Methylpyrimidin-4-amine
CID 21719209
5-Ethynylpyrimidine
CID 1475194
2-Chloro-5-methylpyrimidine
CID 581719
Pyrimidine-5-carbonitrile
CID 10197646
5-(Trifluoromethyl)pyrimidine
CID 15273573
2-Chloro-5-ethylpyrimidine
CID 3572763
5-Methylpyrimidin-2-amine
CID 12999933
2,4-Difluoro-5-methylpyrimidine
CID 336950
2,5-Dimethylpyrimidine
CID 535856
2-Methoxy-5-methylpyrimidine
CID 580052

Frequently Asked Questions

What is the IUPAC name of 5-ethenylpyrimidine?
The IUPAC name of 5-ethenylpyrimidine (CID 639849) is 5-ethenylpyrimidine.
What is the SMILES notation for 5-ethenylpyrimidine?
The canonical SMILES for 5-ethenylpyrimidine is C=Cc1cncnc1.
What is the InChIKey of 5-ethenylpyrimidine?
The InChIKey is HXXVIKZQIFTJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-6-3-7-5-8-4-6/h2-5H,1H2.
What are the key properties of 5-ethenylpyrimidine?
5-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 5-ethenylpyrimidine is sourced from PubChem (CID 639849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).