6-Amino-1,3-dimethyl-5-(morpholine-4-carbothioyl)pyrimidine-2,4-dione

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Basic information

CAS: 70425-09-1
Standard SMILES: Cn1c(N)c(C(=S)N2CCOCC2)c(=O)n(C)c1=O
InChIKey: XAYXKULSOBVYAU-UHFFFAOYSA-N
Molecular formula: C11H16N4O3S
Average molar mass: 284.34 g/mol
Monoisotopic mass: 284.09431156

Names & identifiers

Preferred name: 6-Amino-1,3-dimethyl-5-(morpholine-4-carbothioyl)pyrimidine-2,4-dione
IUPAC: 6-amino-1,3-dimethyl-5-(morpholine-4-carbothioyl)pyrimidine-2,4-dione

Names & synonyms

NSC32794870425-09-1DTXSID50318248NSC-327948DS-0035472,4(1H,3H)-PYRIMIDINEDIONE,6-AMINO-1,3-DIMETHYL-5-(4-MORPHOLINYLTHIOXOMETHYL)-6-Amino-1,3-dimethyl-5-(morpholine-4-carbothioyl)pyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 70425-09-1
PubChem CID: 332085
DTXSID: DTXSID50318248

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 111 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 471

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Compound notes

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