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

C9H13N3O2 — CID 79501067

IUPAC2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione
SMILESNC1(C2=NC(=O)CC(=O)N2)CCCC1
InChIInChI=1S/C9H13N3O2/c10-9(3-1-2-4-9)8-11-6(13)5-7(14)12-8/h1-5,10H2,(H,11,12,13,14)
InChIKeyDFQJYXCMIFWYTF-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.30
Rot. Bonds1

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

2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione (PubChem CID 79501067) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione
PubChem CID79501067
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione
SMILESNC1(C2=NC(=O)CC(=O)N2)CCCC1
InChIInChI=1S/C9H13N3O2/c10-9(3-1-2-4-9)8-11-6(13)5-7(14)12-8/h1-5,10H2,(H,11,12,13,14)
InChIKeyDFQJYXCMIFWYTF-UHFFFAOYSA-N
XLogP-0.30
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.30
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-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione (CID 79501067) is 2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione is NC1(C2=NC(=O)CC(=O)N2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione?
The InChIKey is DFQJYXCMIFWYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-9(3-1-2-4-9)8-11-6(13)5-7(14)12-8/h1-5,10H2,(H,11,12,13,14).
What are the key properties of 2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione?
2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione has a molecular weight of 195.22 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).