(4-(((2,4-diaminopteridin-6-yl)methyl)amino)phenyl)-N,N-dimethylcarboxamide
Basic information
- CAS
136242-92-7- Standard SMILES
CN(C)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1- InChIKey
XQAVCQAHWYHBBJ-UHFFFAOYSA-N- Molecular formula
- C16H18N8O
- Average molar mass
- 338.37 g/mol
- Monoisotopic mass
- 338.16035723
Names & identifiers
- Preferred name
- (4-(((2,4-diaminopteridin-6-yl)methyl)amino)phenyl)-N,N-dimethylcarboxamide
- IUPAC
- 4-[(2,4-diaminopteridin-6-yl)methylamino]-N,N-dimethylbenzamide
Names & synonyms
(4-(((2,4-diaminopteridin-6-yl)methyl)amino)phenyl)-N,N-dimethylcarboxamide70583-38-9NSC 236642NSC236642(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)-N,N-dimethylcarboxamide3GVQ54C2QHSCHEMBL11628295DTXSID602208634-[(2,4-diaminopteridin-6-yl)methylamino]-N,N-dimethyl-benzamide4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}-N,N-DIMETHYLBENZAMIDEBenzamide, 4-[[(2,4-diamino-6-pteridinyl)methyl]amino]-N,N-dimethyl-136242-92-7
Database identifiers
- CAS
136242-92-7、70583-38-9- PubChem CID
- 428392
- DTXSID
DTXSID60220863- UNII
- 3GVQ54C2QH
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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