CAS 874-14-6|1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione|1,3-dimethyluracil|1,3-Dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione|1,3-Dimethyluracil|1,3-二甲基脲嘧啶|1,3-Dimethyl-2,4(1H,3H)-py...

General Information

Structure

Molecular Formula

C₆H₈N₂O₂

Molecular Mass

140.13992

Exact Mass

140.05857751

Charge

InChI

InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3

InChIKey

JSDBKAHWADVXFU-UHFFFAOYSA-N

Canonic Smiles

Cn1ccc(=O)n(c1=O)C

Isomeric Smiles

n1(c(=O)n(c(=O)cc1)C)C

Calculated Properties

JChem

LogD (pH = 7.4)

-0.41

LogD (pH = 5.5)

-0.41

Log P

-0.41

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-4.91

Polar Surface Area

40.62

Polarizability

13.45

Molar Refractivity

35.76

LOG S

0.15

Data Source

Names and Identifiers

IUPAC name

1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Synonyms

1,3-Dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione1,3-Dimethyluracil2,4-Dihydroxy-1,3-dimethylpyrimidine1,3-Dimethyluracil1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione1,3-二甲基脲嘧啶1,3-二甲基-2,4(1H,3H)-嘧啶二酮1,3-二甲基-2,4-嘧啶二酮1,3-dimethylpyrimidine-2,4(1H,3H)-dione1,3-dimethyluracil2,4-Dihydroxy-1,3-dimethylpyrimidineN1,N3-DimethyluracilN,N'-Dimethyluracil

IUPAC Traditional name

1,3-dimethyluracil

Names and Identifiers

Registration numbers

EC Number

CAS Number

MDL Number

PubChem CID