9-Butyl-2-chloro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

HCID 86623419
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Basic information

Standard SMILES
CCCCN1CCC(=O)N(C)c2cnc(Cl)nc21
InChIKey
FHFRQKTZPDGTTA-UHFFFAOYSA-N
Molecular formula
C12H17ClN4O
Average molar mass
268.74 g/mol

Names & identifiers

Preferred name
9-Butyl-2-chloro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
IUPAC
9-butyl-2-chloro-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one

Names & synonyms

SCHEMBL3668641FHFRQKTZPDGTTA-UHFFFAOYSA-N9-butyl-2-chloro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Database identifiers

PubChem CID
86623419

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
49.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

4 records
New reaction record

Linked notes

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