5-[(E)-but-1-enyl]pyrimidine

C8H10N2 — CID 67634043

IUPAC5-[(E)-but-1-enyl]pyrimidine
SMILESCC/C=C/c1cncnc1
InChIInChI=1S/C8H10N2/c1-2-3-4-8-5-9-7-10-6-8/h3-7H,2H2,1H3/b4-3+
InChIKeyJUZLFVRIRBLTAB-ONEGZZNKSA-N
MW134.18 g/mol
LogP1.90
Rot. Bonds2

About 5-[(E)-but-1-enyl]pyrimidine

5-[(E)-but-1-enyl]pyrimidine (PubChem CID 67634043) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]pyrimidine.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]pyrimidine
PubChem CID67634043
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-[(E)-but-1-enyl]pyrimidine
SMILESCC/C=C/c1cncnc1
InChIInChI=1S/C8H10N2/c1-2-3-4-8-5-9-7-10-6-8/h3-7H,2H2,1H3/b4-3+
InChIKeyJUZLFVRIRBLTAB-ONEGZZNKSA-N
XLogP1.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]pyrimidine?
The IUPAC name of 5-[(E)-but-1-enyl]pyrimidine (CID 67634043) is 5-[(E)-but-1-enyl]pyrimidine.
What is the SMILES notation for 5-[(E)-but-1-enyl]pyrimidine?
The canonical SMILES for 5-[(E)-but-1-enyl]pyrimidine is CC/C=C/c1cncnc1.
What is the InChIKey of 5-[(E)-but-1-enyl]pyrimidine?
The InChIKey is JUZLFVRIRBLTAB-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-4-8-5-9-7-10-6-8/h3-7H,2H2,1H3/b4-3+.
What are the key properties of 5-[(E)-but-1-enyl]pyrimidine?
5-[(E)-but-1-enyl]pyrimidine has a molecular weight of 134.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]pyrimidine is sourced from PubChem (CID 67634043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).