2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
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Basic information
- CAS
85544-41-8- Standard SMILES
CCOc1ccc(Cc2cnc(N)nc2N)cc1OC- InChIKey
DRVXIPMHENHGQH-UHFFFAOYSA-N- Molecular formula
- C14H18N4O2
- Average molar mass
- 274.32 g/mol
- Monoisotopic mass
- 274.14297583
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
- IUPAC
- 5-[(4-ethoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
- English name
- 2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
- Molecular formula
- C14H18N4O2
- Molecular weight
- 274.32
Names & synonyms
85544-41-82,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-2,4-Diamino-5-(3-methoxy-4-ethoxybenzyl)pyrimidine5-((4-Ethoxy-3-methoxyphenyl)methyl)-2,4-pyrimidinediamineDTXSID70234734RefChem:246914DTXCID001572255-[(4-Ethoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamineCHEMBL3320135-(4-Ethoxy-3-methoxybenzyl)-2,4-pyrimidinediamineSCHEMBL10488908BDBM50138711
Show more names
5-(4-Ethoxy-3-methoxy-benzyl)-pyrimidine-2,4-diamine5-[(4-ethoxy-3-methoxy-phenyl)methyl]pyrimidine-2,4-diamine
Database identifiers
- CAS
85544-41-8- PubChem CID
- 463109
- DTXSID
DTXSID70234734- ChEMBL
CHEMBL332013- Nikkaji
- J1.589.347H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
LogP1.34
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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