Navigation

name Structure Reference Source Properties Activities Metabolism

1-Methyladenine

AlkaPlorer ID: AK015997

Synonym: '5142-22-3'

IUPAC Name: 1-methyl-7H-purin-6-imine

Structure

SMILES: CN1C=NC2=NC=NC2=C1N

copy

InChI: InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3

copy

InChIKey: HPZMWTNATZPBIH-UHFFFAOYSA-N

copy

Reference

CAS: 1670-69-5

SuperNatural Ⅲ: SN0132311

NPASS: NPC312706

COCONUT: CNP0232137

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 149.15699999999998

TPSA？: 69.62

MolLogP？: -0.1029000000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Phosphatidylinositol 4-kinase, PI4K IC50 None nM 10.1021/jm00170a005

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011330 CO[C@H]1C[C@H](n2cnc3c(N)[n+](C)cnc32)O[C@@H]1COP(C)(=O)O>>Cn1cnc2ncnc-2c1N 55612
AKRT015546 Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N>>Cn1cnc2ncnc-2c1N MNXR173898
AKRT015557 Cn1cnc2ncnc-2c1N.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O>>Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N MNXR173356
AKRT015558 Cn1cnc2ncnc-2c1N>>Nc1ncnc2[nH]cnc12 RXN0-984