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

C9H12FN3O2 — CID 80550726

IUPAC2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESNC1(C2=NC(=O)C(F)C(=O)N2)CCCC1
InChIInChI=1S/C9H12FN3O2/c10-5-6(14)12-8(13-7(5)15)9(11)3-1-2-4-9/h5H,1-4,11H2,(H,12,13,14,15)
InChIKeyZXLRWCNVFODXGI-UHFFFAOYSA-N
MW213.21 g/mol
LogP-0.35
Rot. Bonds1

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

2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione (PubChem CID 80550726) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione
PubChem CID80550726
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione
SMILESNC1(C2=NC(=O)C(F)C(=O)N2)CCCC1
InChIInChI=1S/C9H12FN3O2/c10-5-6(14)12-8(13-7(5)15)9(11)3-1-2-4-9/h5H,1-4,11H2,(H,12,13,14,15)
InChIKeyZXLRWCNVFODXGI-UHFFFAOYSA-N
XLogP-0.35
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.35
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

2-(1-aminocyclohexyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550752
2-(3-aminopentan-3-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550815
2-(2-aminobutan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550836
2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998419
2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998420
2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione
CID 79501067
2-(1-aminocyclohexyl)-1H-pyrimidine-4,6-dione
CID 79501218
8-(2-Aminopropan-2-yl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
CID 79501584
6-(1-Aminocyclopentyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
CID 79501911
7-(1-Aminocyclopentyl)-6,8-diazaspiro[3.5]non-7-ene-5,9-dione
CID 79501912
2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione
CID 79502048
2-(1-aminocyclopentyl)-5,5-diethyl-1H-pyrimidine-4,6-dione
CID 79502049

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione (CID 80550726) is 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione is NC1(C2=NC(=O)C(F)C(=O)N2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione?
The InChIKey is ZXLRWCNVFODXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-5-6(14)12-8(13-7(5)15)9(11)3-1-2-4-9/h5H,1-4,11H2,(H,12,13,14,15).
What are the key properties of 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione?
2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione has a molecular weight of 213.21 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).