2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione

C13H14FN3O2 — CID 79500952

IUPAC2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione
SMILESCC(N)CC1=NC(=O)C(c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C13H14FN3O2/c1-7(15)5-10-16-12(18)11(13(19)17-10)8-3-2-4-9(14)6-8/h2-4,6-7,11H,5,15H2,1H3,(H,16,17,18,19)
InChIKeyVXXOBEMRAUJDEO-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.70
Rot. Bonds3

About 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione

2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione (PubChem CID 79500952) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione
PubChem CID79500952
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione
SMILESCC(N)CC1=NC(=O)C(c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C13H14FN3O2/c1-7(15)5-10-16-12(18)11(13(19)17-10)8-3-2-4-9(14)6-8/h2-4,6-7,11H,5,15H2,1H3,(H,16,17,18,19)
InChIKeyVXXOBEMRAUJDEO-UHFFFAOYSA-N
XLogP0.70
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione (CID 79500952) is 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione is CC(N)CC1=NC(=O)C(c2cccc(F)c2)C(=O)N1.
What is the InChIKey of 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione?
The InChIKey is VXXOBEMRAUJDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7(15)5-10-16-12(18)11(13(19)17-10)8-3-2-4-9(14)6-8/h2-4,6-7,11H,5,15H2,1H3,(H,16,17,18,19).
What are the key properties of 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione?
2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione has a molecular weight of 263.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79500952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).