2,4-Diamino-5-[3,4-dimethoxy-5-(1-methyl-2-propynyloxy)benzyl]pyrimidine

HCID 12849802

Basic information

Standard SMILES
C#CC(C)Oc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChIKey
FYUBPKFLCHEZAF-UHFFFAOYSA-N
Molecular formula
C17H20N4O3
Average molar mass
328.4 g/mol

Names & identifiers

Preferred name
2,4-Diamino-5-[3,4-dimethoxy-5-(1-methyl-2-propynyloxy)benzyl]pyrimidine
IUPAC
5-[(3-but-3-yn-2-yloxy-4,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

Names & synonyms

SCHEMBL10617635FYUBPKFLCHEZAF-UHFFFAOYSA-N2,4-diamino-5-[3,4-dimethoxy-5-(1-methyl-2-propynyloxy)-benzyl]pyrimidine2,4-Diamino-5-[3,4-dimethoxy-5-(1-methyl-2-propynyloxy)benzyl]pyrimidine

Database identifiers

PubChem CID
12849802

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
24

Related reactions

4 records

Compound notes

Loading…