Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-alpha,alpha-diethyl-2,6-dimethoxy-
Basic information
- CAS
55687-96-2- Standard SMILES
CCC(O)(CC)c1c(OC)cc(Cc2cnc(N)nc2N)cc1OC- InChIKey
PHWSMYKJHWXOBG-UHFFFAOYSA-N- Molecular formula
- C18H26N4O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.2004907
Names & identifiers
- Preferred name
- Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-alpha,alpha-diethyl-2,6-dimethoxy-
- IUPAC
- 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]pentan-3-ol
Names & synonyms
BRN 0713072Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-alpha,alpha-diethyl-2,6-dimethoxy-55687-96-2DTXSID902042175-25-13-00440 (Beilstein Handbook Reference)4-((2,4-Diamino-5-pyrimidinyl)methyl)-alpha,alpha-diethyl-2,6-dimethoxybenzenemethanolRefChem:324933DTXCID90126708SCHEMBL113426733-{4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl}pentan-3-ol
Database identifiers
- CAS
55687-96-2- PubChem CID
- 3043554
- DTXSID
DTXSID90204217
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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