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19893-78-8

19893-78-8 | Acetamide, N-(4-amino-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-5-pyrimidinyl)-

CAS No: 19893-78-8 Catalog No: AG002BTI MDL No:

Product Description

Catalog Number:
AG002BTI
Chemical Name:
Acetamide, N-(4-amino-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-5-pyrimidinyl)-
CAS Number:
19893-78-8
Molecular Formula:
C7H10N4O3
Molecular Weight:
198.1793
IUPAC Name:
N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
InChI:
InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)
InChI Key:
POQOTWQIYYNXAT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(N)[nH]c(=O)n(c1=O)C
UNII:
R1KU8R8Z0C

Properties

Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
198.182g/mol
Monoisotopic Mass:
198.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  

Literature

Title Journal
Phenotyping of N-acetyltransferase type 2 and xanthine oxidase with caffeine: when should urine samples be collected? European journal of clinical pharmacology 20090401
Concordance between the deduced acetylation status generated by high-speed: real-time PCR based NAT2 genotyping of seven single nucleotide polymorphisms and human NAT2 phenotypes determined by a caffeine assay. Clinica chimica acta; international journal of clinical chemistry 20070201
Measurement of caffeine and five of the major metabolites in urine by high-performance liquid chromatography/tandem mass spectrometry. Journal of mass spectrometry : JMS 20050301
Phenotyping of N-acetyltransferase type 2 by caffeine from uncontrolled dietary exposure. European journal of clinical pharmacology 20040301
Cytochrome P450 1A2 (CYP1A2) activity, mammographic density, and oxidative stress: a cross-sectional study. Breast cancer research : BCR 20040101
Cytochrome P450 1A2 (CYP1A2) activity and risk factors for breast cancer: a cross-sectional study. Breast cancer research : BCR 20040101
Extractionless method for the determination of urinary caffeine metabolites using high-performance liquid chromatography coupled with tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030615
Stability of 5-acetamido-6-formylamino-3-methyluracil in buffers and urine. Journal of pharmaceutical and biomedical analysis 20020515
The effect of pregnancy on cytochrome P4501A2, xanthine oxidase, and N-acetyltransferase activities in humans. Clinical pharmacology and therapeutics 20010801
Extractionless method for the simultaneous high-performance liquid chromatographic determination of urinary caffeine metabolites for N-acetyltransferase 2, cytochrome P450 1A2 and xanthine oxidase activity assessment. Journal of chromatography. B, Biomedical sciences and applications 20010505
Validity of an ELISA for N-acetyltransferase-2 (NAT2) phenotyping. Journal of immunological methods 20010501

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