Basic information
- CAS
55687-78-0- Standard SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C(C)O- InChIKey
BUBSKBKPEADZAE-UHFFFAOYSA-N- Molecular formula
- C15H20N4O3
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.15354051
Names & identifiers
- Preferred name
- Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methyl-
- IUPAC
- 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethanol
Names & synonyms
BRN 07622974-(2,4-Diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methylbenzyl alcohol55687-78-0BENZYL ALCOHOL, 4-(2,4-DIAMINO-5-PYRIMIDINYLMETHYL)-2,6-DIMETHOXY-alpha-METHYL-RefChem:328550SCHEMBL11848489DTXSID009710441-{4-[(2,4-Diimino-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl}ethan-1-ol
Database identifiers
- CAS
55687-78-0- PubChem CID
- 41525
- DTXSID
DTXSID00971044- Nikkaji
- J69.029E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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