4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(3-dimethylamino-propyl)-benzamide

HCID 44547495
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Basic information

Standard SMILES
CN(C)CCCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCC2)CC(F)(F)C(=O)N3C)cc1
InChIKey
RRBKFQWILURZSY-UHFFFAOYSA-N
Molecular formula
C24H31F2N7O2
Average molar mass
487.5 g/mol

Names & identifiers

Preferred name
4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(3-dimethylamino-propyl)-benzamide
IUPAC
4-[(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-[3-(dimethylamino)propyl]benzamide

Names & synonyms

4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(3-dimethylamino-propyl)-benzamideSCHEMBL1559584

Database identifiers

PubChem CID
44547495

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
93.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
35

Related reactions

2 records
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Compound notes

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