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

HCID 86617543
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Basic information

Standard SMILES
CC(C)N1CCC(=O)N(C)c2cnc(Cl)nc21
InChIKey
UNASNWMSJKUIDZ-UHFFFAOYSA-N
Molecular formula
C11H15ClN4O
Average molar mass
254.71 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL3542245UNASNWMSJKUIDZ-UHFFFAOYSA-N2-chloro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one10-chloro-6-methyl-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

Database identifiers

PubChem CID
86617543
Nikkaji
J3.113.162F

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
49.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17

Related reactions

17 records
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Compound notes

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