4-Amino-5-hydroxymethyl-2-methylpyrimidine

Details

• Internal ID: 11f1d8c3-e820-4c3a-97a5-984023f36e0d
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Hydropyrimidines
• IUPAC Name: (4-amino-2-methylpyrimidin-5-yl)methanol
• SMILES (Canonical): CC1=NC=C(C(=N1)N)CO
• SMILES (Isomeric): CC1=NC=C(C(=N1)N)CO
• InChI: InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)
• InChI Key: VUTBELPREDJDDH-UHFFFAOYSA-N
• Popularity: 131 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₉N₃O
• Molecular Weight: 139.16 g/mol
• Exact Mass: 139.074561919 g/mol
• Topological Polar Surface Area (TPSA): 72.00 Ų
• XlogP: -0.10

Synonyms

• Toxopyrimidine
• 4-amino-5-hydroxymethyl-2-methylpyrimidine
• Atoxopyrimidine
• 4-amino-2-methyl-5-pyrimidinemethanol
• 2-Methyl-4-amino-5-hydroxymethylpyrimidine
• 2-M-4-A-5-Hmp
• 4-amino-2-methyl-5-hydroxymethylpyrimidine
• CHEBI:16892
• G62V17J09J
• NSC-28247
• DTXSID80223275
• HMP CPD
• RefChem:97795
• 4-A-2-MEP
• DTXCID80145766
• (4-Amino-2-methyl-5-pyrimidinyl)methanol
• (4-amino-2-methylpyrimidin-5-yl)methanol
• Pyrazan
• 5-Pyrimidinemethanol, 4-amino-2-methyl-
• MFCD00849239
• OMPM
• Oxymethylpyrimidine
• Pyramine (VAN)
• Pyramin (VAN)
• hydroxymethylpyrimidine
• NSC 28247
• Oprea1_032125
• Pyramine (thiamine metabolite)
• (4-Amino-2-methyl-pyrimidin-5-yl)methanol
• DB02022
• TXP
• PYRAMINE [VAN]
• C01279
• HMH
• 4-Amino-2-methylpyrimidine-5-methanol
• 5-Pyrimidinemethanol,4-amino-2-methyl-
• UNII-G62V17J09J
• (4-?Amino-?2-?methyl-?5-?pyrimidinyl)?methanol(Toxopyrimidine)
• EC-000.1414
• 2-Methyl-4-amino-5-(hydroxymethyl)pyrimidine
• TOXOPYRIMIDINE [MI]
• SCHEMBL479344
• NChemBio.2007.13-comp6
• CHEMBL1233354
• SCHEMBL27224398
• VUTBELPREDJDDH-UHFFFAOYSA-N
• Thiamine /Vitamin B1 Impurity 20
• BBL100129
• EBC-47386
• STK374214
• ZINC00895559
• AKOS002676258
• CS-W006265
• SB57336
• 4amino-5-hydroxymethyl-2-methylpyrimidine
• BBV-00026439
• DS-11140
• FA142716
• PD008215
• SY053323
• 2-methyl-4-amino-5-hydroxylmethylpyrimidine
• 6-amino-5-hydroxymethyl-2-methylpyrimidine
• DB-005507
• A2730
• NS00068403
• ST50900257
• (4-amino-2-methylpyrimidin-5-yl)methan-1-ol
• EN300-135390
• F077298
• Q27093111
• 5-Pyrimidinemethanol, 4-amino-2-methyl- (8CI)(9CI)
• Z1198155379
• 4-Amino-2-methyl-5-pyrimidinemethanol(Discontinued,See C4X-187320)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.02%	96.09%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	90.53%	93.10%
CHEMBL3401	O75469	Pregnane X receptor	87.83%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.26%	94.00%
CHEMBL3492	P49721	Proteasome Macropain subunit	84.58%	90.24%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.78%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.04%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 777
• LOTUS: LTS0182824
• wikiData: Q27093111