N3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-yl]-4-methyl-benzene-1,3-diamine

HCID 15948950
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Basic information

Standard SMILES
Cc1ccc(N)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
InChIKey
AGYCTUZXJHRHMX-UHFFFAOYSA-N
Molecular formula
C18H17N7
Average molar mass
331.4 g/mol
Monoisotopic mass
331.15454357

Names & identifiers

Preferred name
N3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-yl]-4-methyl-benzene-1,3-diamine
IUPAC
3-N-[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]-4-methylbenzene-1,3-diamine

Names & synonyms

SCHEMBL2463720AGYCTUZXJHRHMX-UHFFFAOYSA-NN3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-yl]-4-methyl-benzene-1,3-diamine

Database identifiers

PubChem CID
15948950

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
108 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

Related reactions

4 records
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Compound notes

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