4-Benzyl-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine

HCID 46198822
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Basic information

Standard SMILES
COc1cc(Nc2nc3c(c(Cc4ccccc4)n2)COCC3)ccc1-n1cnc(C)c1
InChIKey
LQLFVYASWKPDPY-UHFFFAOYSA-N
Molecular formula
C25H25N5O2
Average molar mass
427.5 g/mol
Monoisotopic mass
427.20082506

Names & identifiers

Preferred name
4-Benzyl-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
IUPAC
4-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine

Names & synonyms

SCHEMBL2483082LQLFVYASWKPDPY-UHFFFAOYSA-N4-Benzyl-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine

Database identifiers

PubChem CID
46198822

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
74.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
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Compound notes

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