5,5-Bis(2-bromopropyl)-4,6-dihydroxypyrimidin-2(5H)-one

HCID 29211

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Basic information

CAS: 18677-95-7
Standard SMILES: CC(Br)CC1(CC(C)Br)C(=O)NC(=O)NC1=O
InChIKey: RQSYYEWWVDWYJW-UHFFFAOYSA-N
Molecular formula: C10H14Br2N2O3
Average molar mass: 370.04 g/mol
Monoisotopic mass: 367.93712

Names & identifiers

Preferred name: 5,5-Bis(2-bromopropyl)-4,6-dihydroxypyrimidin-2(5H)-one
IUPAC: 5,5-bis(2-bromopropyl)-1,3-diazinane-2,4,6-trione

Names & synonyms

18677-95-7DTXSID509401445,5-Bis(2-bromopropyl)-4,6-dihydroxypyrimidin-2(5H)-oneRefChem:1072123DTXCID9013686185,5-Bis(2-bromopropyl)barbituric acidBRN 0668668BARBITURIC ACID, 5,5-BIS(2-BROMOPROPYL)-5-24-09-00166 (Beilstein Handbook Reference)

Database identifiers

CAS: 18677-95-7
PubChem CID: 29211
DTXSID: DTXSID50940144

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 75.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 327

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