4-(3-Dimethylaminoazetidin-1-yl)-N-[4-(1H-indol-3-yl)pyrimidin-2-yl]-6-methoxybenzene-1,3-diamine

HCID 86677321
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Basic information

Standard SMILES
COc1cc(N2CC(N(C)C)C2)c(N)cc1Nc1nccc(-c2c[nH]c3ccccc23)n1
InChIKey
KIASABHCESRSHH-UHFFFAOYSA-N
Molecular formula
C24H27N7O
Average molar mass
429.5 g/mol

Names & identifiers

Preferred name
4-(3-Dimethylaminoazetidin-1-yl)-N-[4-(1H-indol-3-yl)pyrimidin-2-yl]-6-methoxybenzene-1,3-diamine
IUPAC
4-[3-(dimethylamino)azetidin-1-yl]-1-N-[4-(1H-indol-3-yl)pyrimidin-2-yl]-6-methoxybenzene-1,3-diamine

Names & synonyms

SCHEMBL14663301SCHEMBL30108177KIASABHCESRSHH-UHFFFAOYSA-N4-(3-dimethylaminoazetidin-1-yl)-N-[4-(1H-indol-3-yl)pyrimidin-2-yl]-6-methoxy-benzene-1,3-diamine4-(3-Dimethylaminoazetidin-1-yl)-N-[4-(1H-indol-3-yl)pyrimidin-2-yl]-6-methoxybenzene-1,3-diamine

Database identifiers

PubChem CID
86677321

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
95.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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