Basic information
- Standard SMILES
Cc1nc(-c2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)C(C)C3)cs1- InChIKey
XTWUUIOJTSJMFY-UHFFFAOYSA-N- Molecular formula
- C23H29N7S
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.22051513
Names & identifiers
- Preferred name
- 4-[3-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl) pyrimidin-2-amine
- IUPAC
- 4-[3-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Names & synonyms
SCHEMBL2516972XTWUUIOJTSJMFY-UHFFFAOYSA-N4-[3-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydroisoquinolin-2(1 H)-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine4-[3-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl) pyrimidin-2-amine4-[3-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 46701918
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 600
Related reactions
2 records
Compound notes
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