5-[2-(3,4-Dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine

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Basic information

CAS: 652160-96-8
Standard SMILES: COc1ccc(CCc2cnc(N)nc2N)cc1OC
InChIKey: LNSYUYYLOWGAGN-UHFFFAOYSA-N
Molecular formula: C14H18N4O2
Average molar mass: 274.32 g/mol
Monoisotopic mass: 274.14297583

Names & identifiers

Preferred name: 5-[2-(3,4-Dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
IUPAC: 5-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine

Names & synonyms

5-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine652160-96-8CHEMBL177819DTXSID603336695-[2-(3,4-Dimethoxy-phenyl)-ethyl]-pyrimidine-2,4-diamineRo-126099

Database identifiers

CAS: 652160-96-8
PubChem CID: 516688
DTXSID: DTXSID60333669
ChEMBL: CHEMBL177819

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 292

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Compound notes

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