Benzoic acid, 4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-dimethyl-
Basic information
- CAS
136242-90-5- Standard SMILES
Cc1cc(C(=O)O)cc(C)c1N(C)Cc1cnc2nc(N)nc(N)c2n1- InChIKey
ONPRITYYXGJIFN-UHFFFAOYSA-N- Molecular formula
- C17H19N7O2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16002287
Names & identifiers
- Preferred name
- Benzoic acid, 4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-dimethyl-
- IUPAC
- 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-dimethylbenzoic acid
Names & synonyms
136242-90-51G6T2J03HLBenzoic acid, 4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-dimethyl-NSC137545NSC 137545UNII-1G6T2J03HLNSC-1375454-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)-3,5-dimethylbenzoic acidBenzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-3,5-dimethyl-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}-3,5-dimethylbenzoic acidSCHEMBL20228927DTXSID80159742
Show more names
4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-3,5-dimethyl-benzoic acid
Database identifiers
- CAS
136242-90-5- PubChem CID
- 283187
- DTXSID
DTXSID80159742- UNII
- 1G6T2J03HL
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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