5-amino-5-bromopyrimidine-2,4-dione

C4H4BrN3O2 — CID 175425840

IUPAC5-amino-5-bromopyrimidine-2,4-dione
SMILESNC1(Br)C=NC(=O)NC1=O
InChIInChI=1S/C4H4BrN3O2/c5-4(6)1-7-3(10)8-2(4)9/h1H,6H2,(H,8,9,10)
InChIKeyDFHKFKPPNZVAIH-UHFFFAOYSA-N
MW206.00 g/mol
LogP-0.64
Rot. Bonds

About 5-amino-5-bromopyrimidine-2,4-dione

5-amino-5-bromopyrimidine-2,4-dione (PubChem CID 175425840) has the molecular formula C4H4BrN3O2 and a molecular weight of 206.00 g/mol. Its IUPAC name is 5-amino-5-bromopyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-5-bromopyrimidine-2,4-dione
PubChem CID175425840
Molecular FormulaC4H4BrN3O2
Molecular Weight206.00 g/mol
Exact Mass204.95
IUPAC Name5-amino-5-bromopyrimidine-2,4-dione
SMILESNC1(Br)C=NC(=O)NC1=O
InChIInChI=1S/C4H4BrN3O2/c5-4(6)1-7-3(10)8-2(4)9/h1H,6H2,(H,8,9,10)
InChIKeyDFHKFKPPNZVAIH-UHFFFAOYSA-N
XLogP-0.64
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.00
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-bromopyrimidine-2,4-dione?
The IUPAC name of 5-amino-5-bromopyrimidine-2,4-dione (CID 175425840) is 5-amino-5-bromopyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-5-bromopyrimidine-2,4-dione?
The canonical SMILES for 5-amino-5-bromopyrimidine-2,4-dione is NC1(Br)C=NC(=O)NC1=O.
What is the InChIKey of 5-amino-5-bromopyrimidine-2,4-dione?
The InChIKey is DFHKFKPPNZVAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3O2/c5-4(6)1-7-3(10)8-2(4)9/h1H,6H2,(H,8,9,10).
What are the key properties of 5-amino-5-bromopyrimidine-2,4-dione?
5-amino-5-bromopyrimidine-2,4-dione has a molecular weight of 206.00 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-bromopyrimidine-2,4-dione is sourced from PubChem (CID 175425840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).