(+/-)-3-[3-(2-fluoro-4-methoxy-phenyl)-4-methyl-2-oxo-7-phenylamino-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzamide

HCID 10074627

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(N2C(=O)N(c3cccc(C(N)=O)c3)c3nc(Nc4ccccc4)ncc3C2C)c(F)c1
InChIKey: NTWIKDWBDHUPEC-UHFFFAOYSA-N
Molecular formula: C27H23FN6O3
Average molar mass: 498.5 g/mol

Names & identifiers

Preferred name: (+/-)-3-[3-(2-fluoro-4-methoxy-phenyl)-4-methyl-2-oxo-7-phenylamino-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzamide
IUPAC: 3-[7-anilino-3-(2-fluoro-4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzamide

Names & synonyms

SCHEMBL4705241NTWIKDWBDHUPEC-UHFFFAOYSA-N(+/-)-3-[3-(2-fluoro-4-methoxy-phenyl)-4-methyl-2-oxo-7-phenylamino-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzamide

Database identifiers

PubChem CID: 10074627

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 114 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 37
Formal charge: 0
Complexity: 813

Related reactions

2 records

New reaction record

HRID 2216978As productuspto-grants-2006_09

HRID 2333872As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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