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

C15H16BrN3O2 — CID 79487841

IUPAC2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione
SMILESNC1(C2=NC(=O)C(c3ccc(Br)cc3)C(=O)N2)CCCC1
InChIInChI=1S/C15H16BrN3O2/c16-10-5-3-9(4-6-10)11-12(20)18-14(19-13(11)21)15(17)7-1-2-8-15/h3-6,11H,1-2,7-8,17H2,(H,18,19,20,21)
InChIKeyKGKXRNJIKZBZEG-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.86
Rot. Bonds2

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

2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione (PubChem CID 79487841) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione
PubChem CID79487841
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione
SMILESNC1(C2=NC(=O)C(c3ccc(Br)cc3)C(=O)N2)CCCC1
InChIInChI=1S/C15H16BrN3O2/c16-10-5-3-9(4-6-10)11-12(20)18-14(19-13(11)21)15(17)7-1-2-8-15/h3-6,11H,1-2,7-8,17H2,(H,18,19,20,21)
InChIKeyKGKXRNJIKZBZEG-UHFFFAOYSA-N
XLogP1.86
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.86
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)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione (CID 79487841) is 2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione is NC1(C2=NC(=O)C(c3ccc(Br)cc3)C(=O)N2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione?
The InChIKey is KGKXRNJIKZBZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-10-5-3-9(4-6-10)11-12(20)18-14(19-13(11)21)15(17)7-1-2-8-15/h3-6,11H,1-2,7-8,17H2,(H,18,19,20,21).
What are the key properties of 2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione?
2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione has a molecular weight of 350.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79487841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).