6-Methyl-5-[4-(2-furoyl)piperazin-1-ylmethyl]-4-(3-nitrophenyl)-2-phenylpyrimidine

HCID 20151402
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Basic information

Standard SMILES
Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1CN1CCN(C(=O)c2ccco2)CC1
InChIKey
DLMRFFJXZVLZFG-UHFFFAOYSA-N
Molecular formula
C27H25N5O4
Average molar mass
483.5 g/mol

Names & identifiers

Preferred name
6-Methyl-5-[4-(2-furoyl)piperazin-1-ylmethyl]-4-(3-nitrophenyl)-2-phenylpyrimidine
IUPAC
furan-2-yl-[4-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]piperazin-1-yl]methanone

Names & synonyms

SCHEMBL10379150DLMRFFJXZVLZFG-UHFFFAOYSA-N6-methyl-5-[4-(2-furoyl)piperazin-1-ylmethyl]-4-(3-nitrophenyl)-2-phenylpyrimidine

Database identifiers

PubChem CID
20151402

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
108 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
36

Related reactions

2 records
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Compound notes

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