2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine

C13H20N2 — CID 70521654

IUPAC2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine
SMILESC=CCC1N=CC(CC=C)C(CC=C)N1
InChIInChI=1S/C13H20N2/c1-4-7-11-10-14-13(9-6-3)15-12(11)8-5-2/h4-6,10-13,15H,1-3,7-9H2
InChIKeyITZLWARZBUNIRY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.70
Rot. Bonds6

About 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine

2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine (PubChem CID 70521654) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine
PubChem CID70521654
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine
SMILESC=CCC1N=CC(CC=C)C(CC=C)N1
InChIInChI=1S/C13H20N2/c1-4-7-11-10-14-13(9-6-3)15-12(11)8-5-2/h4-6,10-13,15H,1-3,7-9H2
InChIKeyITZLWARZBUNIRY-UHFFFAOYSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine?
The IUPAC name of 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine (CID 70521654) is 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine?
The canonical SMILES for 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine is C=CCC1N=CC(CC=C)C(CC=C)N1.
What is the InChIKey of 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine?
The InChIKey is ITZLWARZBUNIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-7-11-10-14-13(9-6-3)15-12(11)8-5-2/h4-6,10-13,15H,1-3,7-9H2.
What are the key properties of 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine?
2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine has a molecular weight of 204.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-tris(prop-2-enyl)-1,2,5,6-tetrahydropyrimidine is sourced from PubChem (CID 70521654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).