5-propa-1,2-dienylpyrimidine

C7H6N2 — CID 11217247

IUPAC5-propa-1,2-dienylpyrimidine
SMILESC=C=Cc1cncnc1
InChIInChI=1S/C7H6N2/c1-2-3-7-4-8-6-9-5-7/h3-6H,1H2
InChIKeyGBYNYXTWCULWPX-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.27
Rot. Bonds1

About 5-propa-1,2-dienylpyrimidine

5-propa-1,2-dienylpyrimidine (PubChem CID 11217247) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 5-propa-1,2-dienylpyrimidine.

Molecular Properties

Compound Name5-propa-1,2-dienylpyrimidine
PubChem CID11217247
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name5-propa-1,2-dienylpyrimidine
SMILESC=C=Cc1cncnc1
InChIInChI=1S/C7H6N2/c1-2-3-7-4-8-6-9-5-7/h3-6H,1H2
InChIKeyGBYNYXTWCULWPX-UHFFFAOYSA-N
XLogP1.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propa-1,2-dienylpyrimidine?
The IUPAC name of 5-propa-1,2-dienylpyrimidine (CID 11217247) is 5-propa-1,2-dienylpyrimidine.
What is the SMILES notation for 5-propa-1,2-dienylpyrimidine?
The canonical SMILES for 5-propa-1,2-dienylpyrimidine is C=C=Cc1cncnc1.
What is the InChIKey of 5-propa-1,2-dienylpyrimidine?
The InChIKey is GBYNYXTWCULWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-3-7-4-8-6-9-5-7/h3-6H,1H2.
What are the key properties of 5-propa-1,2-dienylpyrimidine?
5-propa-1,2-dienylpyrimidine has a molecular weight of 118.14 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propa-1,2-dienylpyrimidine is sourced from PubChem (CID 11217247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).