Molecule

4-Amino-5-(hydroxymethyl)-2-methylpyrimidine

AlkaPlorer ID: AK008645

Synonym: 4-Amino-2-methyl-5-pyrimidinemethanol, Toxopyrimidine, Pyramin

IUPAC Name: (4-amino-2-methylpyrimidin-5-yl)methanol

SMILES: CC1=NC=C(CO)C(=N)N1

InChI: InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)

InChIKey: VUTBELPREDJDDH-UHFFFAOYSA-N

PubChem CID: 777

CAS: 73-67-6

LOTUS: LTS0182824

NPASS: NPC249101

COCONUT: CNP0300516

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Bacillus	Bacillidae	Phasmatodea	Insecta	Arthropoda	Metazoa	Eukaryota
Saccharomyces cerevisiae	Saccharomyces	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota
Escherichia coli	Escherichia	Enterobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 139.158

TPSA？: 72.76

MolLogP？: -0.31011

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	-2.97	%	10.6019/CHEMBL4513139
Candida albicans	Candida albicans	Inhibition	-0.12	%	10.6019/CHEMBL4513139
Cryptococcus neoformans	Cryptococcus neoformans	Inhibition	-45.32	%	10.6019/CHEMBL4513139
Escherichia coli	Escherichia coli	Inhibition	-19.21	%	10.6019/CHEMBL4513139
Klebsiella pneumoniae	Klebsiella pneumoniae	Inhibition	-2.19	%	10.6019/CHEMBL4513139
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	-5.34	%	10.6019/CHEMBL4513139
Staphylococcus aureus	Staphylococcus aureus	Inhibition	1.81	%	10.6019/CHEMBL4513139

AKRT ID	Reaction	Reaction Link ID
AKRT015283	Cc1ncc(CN)c(=N)[nH]1>>Cc1ncc(CO)c(=N)[nH]1	enzymemap_79972
AKRT015284	Cc1ncc(CN)c(N)n1>>Cc1ncc(CO)c(N)n1	RXN-12613
AKRT015285	Cc1ncc(CN2C=CC=C(CCO)C2C)c(N)n1>>Cc1ncc(CO)c(N)n1	RXN-14857
AKRT015286	Cc1ncc(CO)c(=N)[nH]1.Cc1ncsc1CCO>>Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1	None
AKRT015287	Cc1ncc(CO)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(COP(=O)(O)O)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT015288	Cc1ncc(CO)c(=N)[nH]1>>Cc1ncc(COP(=O)(O)O)c(=N)[nH]1	enzymemap_44556
AKRT015309	Cc1ncc(CO)c(N)n1.Cc1ncsc1CCO>>Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1	None
AKRT015310	Cc1ncc(CO)c(N)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(COP(=O)(O)O)c(N)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT015311	Cc1ncc(CO)c(N)n1.O=CCO>>Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	MNXR136143
AKRT015312	Cc1ncc(CO)c(N)n1>>Cc1ncc(COP(=O)(O)O)c(N)n1	OHMETPYRKIN-RXN
AKRT015411	Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1>>Cc1ncc(CO)c(=N)[nH]1	enzymemap_79973
AKRT015412	Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1>>Cc1ncc(CO)c(=N)[nH]1.Cc1ncsc1CCO	None
AKRT015432	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1>>Cc1ncc(CO)c(N)n1	THIAMINASE-RXN
AKRT015433	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1>>Cc1ncc(CO)c(N)n1.Cc1ncsc1CCO	None
AKRT021066	Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(CO)c(N)n1	MNXR162276