2'-Chloro-9'-cyclopentyl-5'-methyl-8',9'-dihydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one

HCID 57969862

Basic information

Standard SMILES
CN1C(=O)C2(CCC2)CN(C2CCCC2)c2nc(Cl)ncc21
InChIKey
UUHZJNGKEAFXLN-UHFFFAOYSA-N
Molecular formula
C16H21ClN4O
Average molar mass
320.82 g/mol

Names & identifiers

Preferred name
2'-Chloro-9'-cyclopentyl-5'-methyl-8',9'-dihydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one
IUPAC
2-chloro-9-cyclopentyl-5-methylspiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclobutane]-6-one

Names & synonyms

SCHEMBL1204049UUHZJNGKEAFXLN-UHFFFAOYSA-N2'-Chloro-9'-cyclopentyl-5'-methyl-8',9'-dihydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one

Database identifiers

PubChem CID
57969862

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
49.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
22

Related reactions

9 records

Linked notes

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