N-(4-Methoxy-6-methyl-2-pyrimidinyl)-3-oxobutanamide

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Basic information

CAS: 836-22-6
Standard SMILES: COc1cc(C)nc(NC(=O)CC(C)=O)n1
InChIKey: PREOFASLAHJHMK-UHFFFAOYSA-N
Molecular formula: C10H13N3O3
Average molar mass: 223.23 g/mol
Monoisotopic mass: 223.09569129

Names & identifiers

Preferred name: N-(4-Methoxy-6-methyl-2-pyrimidinyl)-3-oxobutanamide
IUPAC: N-(4-methoxy-6-methylpyrimidin-2-yl)-3-oxobutanamide

Names & synonyms

836-22-6N-(4-Methoxy-6-methyl-2-pyrimidinyl)-3-oxobutanamideRefChem:362062N-(4-Methoxy-6-methyl-2-pyrimidinyl)acetoacetamideN-(4-methoxy-6-methylpyrimidin-2-yl)-3-oxobutanamidePREOFASLAHJHMK-UHFFFAOYSA-NDTXSID601216814N-(4-Methoxy-6-methyl-2-pyrimidinyl)-3-oxobutanamide #

Database identifiers

CAS: 836-22-6
PubChem CID: 586756
DTXSID: DTXSID601216814
Nikkaji: J1.402.448D

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 81.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 270

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Compound notes

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