2-Chloro-7,7-difluoro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

HCID 86635900

Basic information

Standard SMILES
CC(C)N1CC(F)(F)C(=O)N(C)c2cnc(Cl)nc21
InChIKey
VSWUXJWUEXNGLF-UHFFFAOYSA-N
Molecular formula
C11H13ClF2N4O
Average molar mass
290.7 g/mol

Names & identifiers

Preferred name
2-Chloro-7,7-difluoro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
IUPAC
2-chloro-7,7-difluoro-5-methyl-9-propan-2-yl-8H-pyrimido[4,5-b][1,4]diazepin-6-one

Names & synonyms

2-chloro-7,7-difluoro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-oneSCHEMBL1559398SCHEMBL301357441137870-04-22-CHLORO-7,7-DIFLUORO-5-METHYL-9-(PROPAN-2-YL)-5H,6H,7H,8H,9H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-6-ONEF979682-chloro-7,7-difluoro-9-isopropyl-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one

Database identifiers

PubChem CID
86635900

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
49.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
19

Related reactions

12 records

Linked notes

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