CAS 1458-01-1|methyl 3,5-diamino-6-chloropyrazine-2-carboxylate|Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate|methyl 3,5-diamino-6-chloropyrazine-2-carboxylate|3,5-二氨基-6-氯吡嗪-2-羧酸甲酯|Met...

General Information

Structure

Molecular Formula

C₆H₇ClN₄O₂

Molecular Mass

202.59838

Exact Mass

202.02575316

Charge

InChI

InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)

InChIKey

KOOBYHRLTYIPTH-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1nc(Cl)c(nc1N)N

Isomeric Smiles

c1(c(nc(c(n1)Cl)N)N)C(=O)OC

Calculated Properties

JChem

Acid pKa

16.473137

H Acceptors

H Donor

LogD (pH = 5.5)

0.7324777

LogD (pH = 7.4)

0.73251283

Log P

0.73251325

Molar Refractivity

49.2914

Polarizability

17.399588

Polar Surface Area

104.12

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

Synonyms

Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate3,5-二氨基-6-氯吡嗪-2-羧酸甲酯Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate3,5-Diamino-6-chloropyrazine-2-carboxylic Acid Methyl EsterMethyl 3,5-Diamino-6-chloropyrazinecarboxylate3,5-Diamino-6-chloro-2-pyrazinecarboxylic Acid Methyl Ester

IUPAC Traditional name

methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

EC Number