Ethyl 4-{4-[(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl}-2-methyl-6-propylpyrimidine-5-carboxylate

HCID 5223585

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Basic information

CAS: 5929-78-2
Standard SMILES: CCCc1nc(C)nc(C(=O)N2CCN(C(=O)Cc3ccc(OC)cc3)C(C)C2)c1C(=O)OCC
InChIKey: WSYNNVTUKAQTRP-UHFFFAOYSA-N
Molecular formula: C26H34N4O5
Average molar mass: 482.6 g/mol
Monoisotopic mass: 482.2529202

Names & identifiers

Preferred name: Ethyl 4-{4-[(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl}-2-methyl-6-propylpyrimidine-5-carboxylate
IUPAC: ethyl 4-[4-[2-(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate

Names & synonyms

5929-78-2Ethyl 4-(4-(2-(4-methoxyphenyl)acetyl)-3-methylpiperazine-1-carbonyl)-2-methyl-6-propylpyrimidine-5-carboxylateethyl 4-[4-[2-(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylateDTXSID70411245Ethyl 4-{4-[(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl}-2-methyl-6-propylpyrimidine-5-carboxylate

Database identifiers

CAS: 5929-78-2
PubChem CID: 5223585
DTXSID: DTXSID70411245

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 102 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 727

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