5-hex-2-en-2-ylpyrimidine

C10H14N2 — CID 123236941

IUPAC5-hex-2-en-2-ylpyrimidine
SMILESCCCC=C(C)c1cncnc1
InChIInChI=1S/C10H14N2/c1-3-4-5-9(2)10-6-11-8-12-7-10/h5-8H,3-4H2,1-2H3
InChIKeyIOAQMDHIDYTSEK-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.68
Rot. Bonds3

About 5-hex-2-en-2-ylpyrimidine

5-hex-2-en-2-ylpyrimidine (PubChem CID 123236941) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-hex-2-en-2-ylpyrimidine.

Molecular Properties

Compound Name5-hex-2-en-2-ylpyrimidine
PubChem CID123236941
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-hex-2-en-2-ylpyrimidine
SMILESCCCC=C(C)c1cncnc1
InChIInChI=1S/C10H14N2/c1-3-4-5-9(2)10-6-11-8-12-7-10/h5-8H,3-4H2,1-2H3
InChIKeyIOAQMDHIDYTSEK-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hex-2-en-2-ylpyrimidine?
The IUPAC name of 5-hex-2-en-2-ylpyrimidine (CID 123236941) is 5-hex-2-en-2-ylpyrimidine.
What is the SMILES notation for 5-hex-2-en-2-ylpyrimidine?
The canonical SMILES for 5-hex-2-en-2-ylpyrimidine is CCCC=C(C)c1cncnc1.
What is the InChIKey of 5-hex-2-en-2-ylpyrimidine?
The InChIKey is IOAQMDHIDYTSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-4-5-9(2)10-6-11-8-12-7-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-hex-2-en-2-ylpyrimidine?
5-hex-2-en-2-ylpyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-2-en-2-ylpyrimidine is sourced from PubChem (CID 123236941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).