5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine 2,3-dihydroxybutanedioate(1:1)

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Basic information

CAS: 65703-46-0
Standard SMILES: CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.O=C(O)C(O)C(O)C(=O)O
InChIKey: NFFRTUJRKBKQES-UHFFFAOYSA-N
Molecular formula: C16H19ClN4O6
Average molar mass: 398.8 g/mol
Monoisotopic mass: 398.099312

Names & identifiers

Preferred name: 5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine 2,3-dihydroxybutanedioate(1:1)
IUPAC: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;2,3-dihydroxybutanedioic acid

Names & synonyms

65703-46-05-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine 2,3-dihydroxybutanedioate(1:1)5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine 2,3-dihydroxysuccinateNSC-65379NSC65379SCHEMBL11706219DTXSID702899062,3-Dihydroxybutanedioic acid--5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (1/1)

Database identifiers

CAS: 65703-46-0
PubChem CID: 248396
DTXSID: DTXSID70289906

Properties

Computed structural properties

Topological polar surface area: 193 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 376

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Compound notes

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