2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(methoxymethyl)phenyl)methyl)-
Basic information
- CAS
55687-86-0- Standard SMILES
COCc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC- InChIKey
SFSQZPZBQINRSC-UHFFFAOYSA-N- Molecular formula
- C15H20N4O3
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.15354051
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(methoxymethyl)phenyl)methyl)-
- IUPAC
- 5-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
Names & synonyms
55687-86-02,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(methoxymethyl)phenyl)methyl)-RefChem:10599595-(3,5-Dimethoxy-4-(methoxymethyl)benzyl)pyrimidine-2,4-diamineBRN 06971932,4-Diamino-5-(3,5-dimethoxy-4-(methoxymethyl)benzyl)pyrimidine5-((3,5-Dimethoxy-4-(methoxymethyl)phenyl)methyl)-2,4-pyrimidinediamineSCHEMBL11849472DTXSID7087786224NH2PYRIMIDIN,5(35-MEO-4-MEO-CH2)BENZYL5-{[3,5-Dimethoxy-4-(methoxymethyl)phenyl]methyl}pyrimidine-2,4(1H,3H)-diimine
Database identifiers
- CAS
55687-86-0- PubChem CID
- 108754
- DTXSID
DTXSID70877862- Nikkaji
- J1.575.128B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
LogP1.19
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Compound notes
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