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

C4H4BrN3O2 — CID 129114868

IUPAC6-(bromoamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NBr)[nH]c(=O)[nH]1
InChIInChI=1S/C4H4BrN3O2/c5-8-2-1-3(9)7-4(10)6-2/h1H,(H3,6,7,8,9,10)
InChIKeyRWAVKEXKGNXWBJ-UHFFFAOYSA-N
MW206.00 g/mol
LogP-0.22
Rot. Bonds1

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

6-(bromoamino)-1H-pyrimidine-2,4-dione (PubChem CID 129114868) has the molecular formula C4H4BrN3O2 and a molecular weight of 206.00 g/mol. Its IUPAC name is 6-(bromoamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(bromoamino)-1H-pyrimidine-2,4-dione
PubChem CID129114868
Molecular FormulaC4H4BrN3O2
Molecular Weight206.00 g/mol
Exact Mass204.95
IUPAC Name6-(bromoamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NBr)[nH]c(=O)[nH]1
InChIInChI=1S/C4H4BrN3O2/c5-8-2-1-3(9)7-4(10)6-2/h1H,(H3,6,7,8,9,10)
InChIKeyRWAVKEXKGNXWBJ-UHFFFAOYSA-N
XLogP-0.22
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.00
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromoamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(bromoamino)-1H-pyrimidine-2,4-dione (CID 129114868) is 6-(bromoamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(bromoamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(bromoamino)-1H-pyrimidine-2,4-dione is O=c1cc(NBr)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(bromoamino)-1H-pyrimidine-2,4-dione?
The InChIKey is RWAVKEXKGNXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3O2/c5-8-2-1-3(9)7-4(10)6-2/h1H,(H3,6,7,8,9,10).
What are the key properties of 6-(bromoamino)-1H-pyrimidine-2,4-dione?
6-(bromoamino)-1H-pyrimidine-2,4-dione has a molecular weight of 206.00 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromoamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129114868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).