Basic information
- CAS
55687-49-5- Standard SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1CO- InChIKey
VDVXNBVVBLPRCL-UHFFFAOYSA-N- Molecular formula
- C14H18N4O3
- Average molar mass
- 290.32 g/mol
- Monoisotopic mass
- 290.13789045
Names & identifiers
- Preferred name
- Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-
- IUPAC
- [4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]methanol
- English name
- [4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenyl]methanol
- Molecular formula
- C14H18N4O3
- Molecular weight
- 290.32
Names & synonyms
55687-49-5BRN 0761633Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-DTXSID702042104-((2,4-Diamino-5-pyrimidinyl)methyl)-1,6-dimethoxybenzyl alcohol4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzenemethanol5-25-13-00439 (Beilstein Handbook Reference)RefChem:324931DTXCID70126701{4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl}methanolCHEMBL174299SCHEMBL11851360
Show more names
Famphur Impurity 1 (Famphur Oxon)[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenyl]methanolBenzenemethanol, 4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxy-
VDVXNBVVBLPRCL-UHFFFAOYSA-N4-[ (2,4-diamino-5-pyrimidinyl)-methyl] -2,6-dimethoxybenzyl alcohol
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
LogP0.42
Related reactions
1 records
Compound notes
Loading…