CAS 6632-68-4|CAS 3346-61-0|6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione|4-AMINO-1,3-DIMETHYL-2,6-DIHYDROXY-5-NITROSOPYRIMIDINE|4-AMINO-2,6-DIKETO-1,3-DIMETHYL-5-NITROSOPYRIMIDINE|6-amino-1,3-...

General Information

Structure

Molecular Formula

C₆H₈N₄O₃

Molecular Mass

184.15272

Exact Mass

184.05964014

Charge

InChI

InChI=1S/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7H2,1-2H3

InChIKey

MGBDANYXBKROBW-UHFFFAOYSA-N

Canonic Smiles

O=Nc1c(N)n(C)c(=O)n(c1=O)C

Isomeric Smiles

Cn1c(=O)n(C)c(N)c(N=O)c1=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2085863

LogD (pH = 7.4)

-1.2085788

Log P

-1.2085787

Molar Refractivity

52.2444

Polarizability

15.65258

Polar Surface Area

96.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione

Synonyms

4-AMINO-1,3-DIMETHYL-2,6-DIHYDROXY-5-NITROSOPYRIMIDINE4-AMINO-2,6-DIKETO-1,3-DIMETHYL-5-NITROSOPYRIMIDINE4-Amino-1,3-dimethyl-2,6-dioxy-5-nitrosopyrimidine6-Amino-1,3-dimethyl-5-nitrosouracilNSC 993286-Amino-1,3-dimethyl-5-nitrosouracil6-Amino-1,3-dimethyl-5-nitro-uracil6-Amino-1,3-dimethyl-5-nitro-2,4(1H,3H)-pyrimidinedione

IUPAC name

6-amino-1,3-dimethyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione

Names and Identifiers

Registration numbers

EC Number

MDL Number

PubChem SID

CAS Number