2-ethenyl-1,4,5,6-tetrahydropyrimidine

C6H10N2 — CID 20544616

IUPAC2-ethenyl-1,4,5,6-tetrahydropyrimidine
SMILESC=CC1=NCCCN1
InChIInChI=1S/C6H10N2/c1-2-6-7-4-3-5-8-6/h2H,1,3-5H2,(H,7,8)
InChIKeyVKUBXKGGWUAAQY-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.56
Rot. Bonds1

About 2-ethenyl-1,4,5,6-tetrahydropyrimidine

2-ethenyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 20544616) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-ethenyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-ethenyl-1,4,5,6-tetrahydropyrimidine
PubChem CID20544616
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-ethenyl-1,4,5,6-tetrahydropyrimidine
SMILESC=CC1=NCCCN1
InChIInChI=1S/C6H10N2/c1-2-6-7-4-3-5-8-6/h2H,1,3-5H2,(H,7,8)
InChIKeyVKUBXKGGWUAAQY-UHFFFAOYSA-N
XLogP0.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-ethenyl-1,4,5,6-tetrahydropyrimidine (CID 20544616) is 2-ethenyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-ethenyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-ethenyl-1,4,5,6-tetrahydropyrimidine is C=CC1=NCCCN1.
What is the InChIKey of 2-ethenyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is VKUBXKGGWUAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-6-7-4-3-5-8-6/h2H,1,3-5H2,(H,7,8).
What are the key properties of 2-ethenyl-1,4,5,6-tetrahydropyrimidine?
2-ethenyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 110.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 20544616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).