1-(5-Coumaranyl carbonyl)-4-(2-pyrimidinyl) piperazine

HCID 45809673

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Basic information

CAS: 55745-72-7
Standard SMILES: O=C(c1ccc2c(c1)CCO2)N1CCN(c2ncccn2)CC1
InChIKey: GQSSXRZEDCKQRZ-UHFFFAOYSA-N
Molecular formula: C17H18N4O2
Average molar mass: 310.35 g/mol
Monoisotopic mass: 310.14297582

Names & identifiers

Preferred name: 1-(5-Coumaranyl carbonyl)-4-(2-pyrimidinyl) piperazine
IUPAC: 2,3-dihydro-1-benzofuran-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Names & synonyms

1-(5-coumaranyl carbonyl)-4-(2-pyrimidinyl) piperazineCHEMBL3465374GQSSXRZEDCKQRZ-UHFFFAOYSA-NDTXSID201155076AKOS02759910655745-72-7Z336519148(2,3-Dihydro-5-benzofuranyl)[4-(2-pyrimidinyl)-1-piperazinyl]methanone(2,3-Dihydro-1-benzofuran-5-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone

Database identifiers

CAS: 55745-72-7
PubChem CID: 45809673
DTXSID: DTXSID201155076
ChEMBL: CHEMBL3465374

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 419

Related reactions

1 records

New reaction record

HRID 267730As productuspto-grants-1976_03

Compound notes

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