5-Isopropyl-5-(beta-hydroxypropyl)barbituric acid

HCID 36609

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Basic information

CAS: 33841-17-7
Standard SMILES: CC(O)CC1(C(C)C)C(=O)NC(=O)NC1=O
InChIKey: PKMMAWVSVCNKLQ-UHFFFAOYSA-N
Molecular formula: C10H16N2O4
Average molar mass: 228.24 g/mol
Monoisotopic mass: 228.111007

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 5-Isopropyl-5-(beta-hydroxypropyl)barbituric acid
IUPAC: 5-(2-hydroxypropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

Names & synonyms

5-(2-Hydroxypropyl)-5-isopropylbarbituric acid33841-17-75-Isopropyl-5-(beta-hydroxypropyl)barbituric acidRefChem:913481BRN 0218533Kwas 5-izopropylo-5-(beta-hydroksy-propylo)-barbiturowy [Polish]4-25-00-00447 (Beilstein Handbook Reference)Kwas 5-izopropylo-5-(beta-hydroksy-propylo)-barbiturowyBARBITURIC ACID, 5-(2-HYDROXYPROPYL)-5-ISOPROPYL-DTXSID80955428PKMMAWVSVCNKLQ-UHFFFAOYSA-N4,6-Dihydroxy-5-(2-hydroxypropyl)-5-(propan-2-yl)pyrimidin-2(5H)-one

Database identifiers

CAS: 33841-17-7
PubChem CID: 36609
DTXSID: DTXSID80955428
Nikkaji: J105.669G

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 95.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 318

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