CAS 7164-43-4|5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid|5-amino-2,6-dioxo-1,3-dihydropyrimidine-4-carboxylic acid|5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic a...

General Information

Structure

Molecular Formula

C₅H₅N₃O₄

Molecular Mass

171.1109

Exact Mass

171.02800566

Charge

InChI

InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)

InChIKey

HWCXJKLFOSBVLH-UHFFFAOYSA-N

Canonic Smiles

O=c1[nH]c(=O)c(c([nH]1)C(=O)O)N

Isomeric Smiles

[nH]1c(=O)c(c([nH]c1=O)C(=O)O)N

Calculated Properties

JChem

Acid pKa

2.8431118

H Acceptors

H Donor

LogD (pH = 5.5)

-4.7149057

LogD (pH = 7.4)

-5.6056333

Log P

-2.1116698

Molar Refractivity

36.8995

Polarizability

13.397283

Polar Surface Area

121.52

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

5-amino-2,6-dioxo-1,3-dihydropyrimidine-4-carboxylic acid

Synonyms

5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid5-AMINO-6-CARBOXY-2,4-DIHYDROXYPYRIMIDINE5-氨基乳清酸5-Amino-6-carboxy-2,4-dihydroxypyrimidine5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid5-氨基-6-羧基-2,4-二羟基嘧啶5-氨基-1,2,3,6-四氢-2,6-二氧代-4-嘧啶羧酸5-Aminoorotic acid5-Aminoorotic acid5-Aminouracil-6-carboxylic acid5-Amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

IUPAC name

5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number