5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine

C10H12N2 — CID 165129127

IUPAC5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine
SMILESC=C/C=C\C=C\C1=CNCN=C1
InChIInChI=1S/C10H12N2/c1-2-3-4-5-6-10-7-11-9-12-8-10/h2-8,11H,1,9H2/b4-3-,6-5+
InChIKeyFZOVHNAVEPPXMG-DNVGVPOPSA-N
MW160.22 g/mol
LogP1.80
Rot. Bonds3

About 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine

5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine (PubChem CID 165129127) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine
PubChem CID165129127
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine
SMILESC=C/C=C\C=C\C1=CNCN=C1
InChIInChI=1S/C10H12N2/c1-2-3-4-5-6-10-7-11-9-12-8-10/h2-8,11H,1,9H2/b4-3-,6-5+
InChIKeyFZOVHNAVEPPXMG-DNVGVPOPSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine?
The IUPAC name of 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine (CID 165129127) is 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine.
What is the SMILES notation for 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine?
The canonical SMILES for 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine is C=C/C=C\C=C\C1=CNCN=C1.
What is the InChIKey of 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine?
The InChIKey is FZOVHNAVEPPXMG-DNVGVPOPSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-3-4-5-6-10-7-11-9-12-8-10/h2-8,11H,1,9H2/b4-3-,6-5+.
What are the key properties of 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine?
5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine has a molecular weight of 160.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine is sourced from PubChem (CID 165129127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).