5-(Hexan-2-yl)-6-hydroxy-3,5-dimethylpyrimidine-2,4(3H,5H)-dione

HCID 48460

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Basic information

CAS: 66941-10-4
Standard SMILES: CCCCC(C)C1(C)C(=O)NC(=O)N(C)C1=O
InChIKey: ADNFKJCJCHSTBI-UHFFFAOYSA-N
Molecular formula: C12H20N2O3
Average molar mass: 240.3 g/mol
Monoisotopic mass: 240.1473925

Names & identifiers

Preferred name: 5-(Hexan-2-yl)-6-hydroxy-3,5-dimethylpyrimidine-2,4(3H,5H)-dione
IUPAC: 5-hexan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione

Names & synonyms

66941-10-4DTXSID609856475-(Hexan-2-yl)-6-hydroxy-3,5-dimethylpyrimidine-2,4(3H,5H)-dioneRefChem:1072551DTXCID4014128381,5-Dimethyl-5-(1-methylpentyl)barbituric acidBRN 0230305BARBITURIC ACID, 1,5-DIMETHYL-5-(1-METHYLPENTYL)-

Database identifiers

CAS: 66941-10-4
PubChem CID: 48460
DTXSID: DTXSID60985647
Nikkaji: J105.487B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 354

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