5-prop-2-enyl-1,4-dihydropyrimidine

C7H10N2 — CID 57289283

IUPAC5-prop-2-enyl-1,4-dihydropyrimidine
SMILESC=CCC1=CNC=NC1
InChIInChI=1S/C7H10N2/c1-2-3-7-4-8-6-9-5-7/h2,4,6H,1,3,5H2,(H,8,9)
InChIKeyCHUPKXTUHCWLKU-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.08
Rot. Bonds2

About 5-prop-2-enyl-1,4-dihydropyrimidine

5-prop-2-enyl-1,4-dihydropyrimidine (PubChem CID 57289283) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-prop-2-enyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-prop-2-enyl-1,4-dihydropyrimidine
PubChem CID57289283
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-prop-2-enyl-1,4-dihydropyrimidine
SMILESC=CCC1=CNC=NC1
InChIInChI=1S/C7H10N2/c1-2-3-7-4-8-6-9-5-7/h2,4,6H,1,3,5H2,(H,8,9)
InChIKeyCHUPKXTUHCWLKU-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.08
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 5-prop-2-enyl-1,4-dihydropyrimidine?
The IUPAC name of 5-prop-2-enyl-1,4-dihydropyrimidine (CID 57289283) is 5-prop-2-enyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-prop-2-enyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-prop-2-enyl-1,4-dihydropyrimidine is C=CCC1=CNC=NC1.
What is the InChIKey of 5-prop-2-enyl-1,4-dihydropyrimidine?
The InChIKey is CHUPKXTUHCWLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-7-4-8-6-9-5-7/h2,4,6H,1,3,5H2,(H,8,9).
What are the key properties of 5-prop-2-enyl-1,4-dihydropyrimidine?
5-prop-2-enyl-1,4-dihydropyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,4-dihydropyrimidine is sourced from PubChem (CID 57289283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).