N-benzyloxycarbonyl-4,6-diaminopyrimidine

HCID 18998616
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
NC1=CC(N)=NCN1C(=O)OCc1ccccc1
InChIKey
NXSIYMSWVHUEIA-UHFFFAOYSA-N
Molecular formula
C12H14N4O2
Average molar mass
246.27 g/mol

Names & identifiers

Preferred name
N-benzyloxycarbonyl-4,6-diaminopyrimidine
IUPAC
benzyl 4,6-diamino-2H-pyrimidine-1-carboxylate

Names & synonyms

SCHEMBL8129160NXSIYMSWVHUEIA-UHFFFAOYSA-NN-benzyloxycarbonyl-4,6-diaminopyrimidine

Database identifiers

PubChem CID
18998616

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
93.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

Loading…