CAS 4433-40-3|5-hydroxymethyluracil|5-(Hydroxymethyl)pyrimidine-2,4-diol|5-(Hydroxymethyl)uracil 99%|5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione|5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-d...

General Information

Structure

Molecular Formula

C₅H₆N₂O₃

Molecular Mass

142.11274

Exact Mass

142.03784206

Charge

InChI

InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)

InChIKey

JDBGXEHEIRGOBU-UHFFFAOYSA-N

Canonic Smiles

OCc1c[nH]c(=O)[nH]c1=O

Isomeric Smiles

[nH]1c(=O)[nH]cc(c1=O)CO

Calculated Properties

JChem

LogD (pH = 7.4)

-1.76

LogD (pH = 5.5)

-1.74

Log P

-1.74

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

8.67

Polar Surface Area

78.43

Polarizability

12.34

Molar Refractivity

32.10

LOG S

-0.45

Data Source

Names and Identifiers

IUPAC Traditional name

5-hydroxymethyluracil

Synonyms

5-(Hydroxymethyl)pyrimidine-2,4-diol5-(Hydroxymethyl)uracil 99%5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione5-(hydroxymethyl)-2,4(1H,3H)-pyrimidinedioneUracil-5-methanol5-(Hydroxymethyl)uracil5-羟甲基尿嘧啶5-(Hydroxymethyl)uracil5-(Hydroxymethyl)pyrimidine-2,4-dioneNSC 209015-(Hydroxymethyl)-1,3-dihydropyrimidine-2,4-dione5-Hydroxymethyluracilα-Hydroxythymine5-(Hydroxymethyl)-2,4(1H,3H)-pyrimidinedione2,4-Dihydroxy-5-hydroxymethylpyrimidine5-(HydroxyMethyl)pyriMidine-2,4(1H,3H)-dione5-hydroxymethyluracil5-hydroxymethyluracil5-(hydroxymethyl)-2,4(1H,3H)-pyrimidinedione5-(hydroxymethyl)uracil5-Hydroxymethyluracil5-HYDROXYMETHYL URACIL

IUPAC name

5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD00056024MFCD00006070

CAS Number

4433-40-3

PubChem SID

1609822318144743

EC Number

224-636-5