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4-Amino-2-[(4-methylphenoxy)methyl]pteridine

HCID 10587889
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(OCc2nc(N)c3nccnc3n2)cc1
InChIKey
VYWFHHKFJPCGOW-UHFFFAOYSA-N
Molecular formula
C14H13N5O
Average molar mass
267.29 g/mol
Monoisotopic mass
267.11201006

Names & identifiers

Preferred name
4-Amino-2-[(4-methylphenoxy)methyl]pteridine
IUPAC
2-[(4-methylphenoxy)methyl]pteridin-4-amine

Names & synonyms

SCHEMBL9196957VYWFHHKFJPCGOW-UHFFFAOYSA-N4-Amino-2-[(4-methylphenoxy)methyl]pteridine

Database identifiers

PubChem CID
10587889

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
86.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
308

Related reactions

3 records
New reaction record
HRID 326859 reaction equation
HRID 326859As productuspto-grants-1993_12
HRID 326860 reaction equation
HRID 326860As reactantuspto-grants-1993_12
HRID 1222409 reaction equation
HRID 1222409As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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