6-Hydroxy-3,5-dimethyl-5-(propan-2-yl)pyrimidine-2,4(3H,5H)-dione

HCID 20340

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Basic information

CAS: 4336-85-0
Standard SMILES: CC(C)C1(C)C(=O)NC(=O)N(C)C1=O
InChIKey: ALVDHBGUJHQGNC-UHFFFAOYSA-N
Molecular formula: C9H14N2O3
Average molar mass: 198.22 g/mol
Monoisotopic mass: 198.10044231

Names & identifiers

Preferred name: 6-Hydroxy-3,5-dimethyl-5-(propan-2-yl)pyrimidine-2,4(3H,5H)-dione
IUPAC: 1,5-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
English name: 5-Isopropyl-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Molecular formula: C9H14N2O3
Molecular weight: 198.22

Names & synonyms

4336-85-0DTXSID609629986-Hydroxy-3,5-dimethyl-5-(propan-2-yl)pyrimidine-2,4(3H,5H)-dioneRefChem:1073974DTXCID1013907701,5-Dimethyl-5-isopropylbarbituric acidBRN 0185909BARBITURIC ACID, 1,5-DIMETHYL-5-ISOPROPYL-5-Isopropyl-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-dimethyl-5-(1-methylethyl)-

Database identifiers

CAS: 4336-85-0
PubChem CID: 20340
DTXSID: DTXSID60962998
Nikkaji: J54.474D

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 311

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