Basic information
- Standard SMILES
COc1nccc(N(c2ccc3[nH]c(C)cc3c2)c2nccc(N)n2)n1- InChIKey
MFAHLHUAMHGGSY-UHFFFAOYSA-N- Molecular formula
- C18H17N7O
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- N-(2-methoxypyrimidin-4-yl)-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
- IUPAC
- 2-N-(2-methoxypyrimidin-4-yl)-2-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL3459393MFAHLHUAMHGGSY-UHFFFAOYSA-NN-(2-methoxypyrimidin-4-yl)-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 68650127
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 467
Related reactions
2 records
Compound notes
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