2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione

C6H8FN3O2 — CID 80551005

IUPAC2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESCC(N)C1=NC(=O)C(F)C(=O)N1
InChIInChI=1S/C6H8FN3O2/c1-2(8)4-9-5(11)3(7)6(12)10-4/h2-3H,8H2,1H3,(H,9,10,11,12)
InChIKeyRGDIHSHSQSPTHV-UHFFFAOYSA-N
MW173.15 g/mol
LogP-1.27
Rot. Bonds1

About 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione

2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione (PubChem CID 80551005) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione
PubChem CID80551005
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESCC(N)C1=NC(=O)C(F)C(=O)N1
InChIInChI=1S/C6H8FN3O2/c1-2(8)4-9-5(11)3(7)6(12)10-4/h2-3H,8H2,1H3,(H,9,10,11,12)
InChIKeyRGDIHSHSQSPTHV-UHFFFAOYSA-N
XLogP-1.27
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-1.27
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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Related Compounds

5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione
CID 78175998
2-(2-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550490
2-(2-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550492
2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550516
2-(1-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550601
2-(1-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550666
2-(1-amino-2-methylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550695
2-(1-amino-2,2-dimethylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550724
2-(2-aminopropan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550789
5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione
CID 80550817
5-fluoro-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 80550838
5-fluoro-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 80550862

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione (CID 80551005) is 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione is CC(N)C1=NC(=O)C(F)C(=O)N1.
What is the InChIKey of 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The InChIKey is RGDIHSHSQSPTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c1-2(8)4-9-5(11)3(7)6(12)10-4/h2-3H,8H2,1H3,(H,9,10,11,12).
What are the key properties of 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione?
2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione has a molecular weight of 173.15 g/mol, XLogP of -1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-fluoro-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80551005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).