CAS 165807-06-7 | 4-Pyrimidinecarboxaldehyde, 2-amino- | CAS Number 165807-06-7

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165807-06-7 | 4-Pyrimidinecarboxaldehyde, 2-amino-

CAS No: 165807-06-7 Catalog No: AG001WD2 MDL No:MFCD09910193

Product Description

Catalog Number:

AG001WD2

Chemical Name:

4-Pyrimidinecarboxaldehyde, 2-amino-

CAS Number:

165807-06-7

Molecular Formula:

C5H5N3O

Molecular Weight:

123.1127

MDL Number:

MFCD09910193

IUPAC Name:

2-aminopyrimidine-4-carbaldehyde

InChI:

InChI=1S/C5H5N3O/c6-5-7-2-1-4(3-9)8-5/h1-3H,(H2,6,7,8)

InChI Key:

JFGUYYUCZSRMCF-UHFFFAOYSA-N

SMILES:

O=Cc1ccnc(n1)N

Properties

Complexity:

106

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

123.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

123.115g/mol

Monoisotopic Mass:

123.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3

Literature

Title	Journal
Thiamin (vitamin B1) biosynthesis and regulation: a rich source of antimicrobial drug targets?	International journal of biological sciences 20110101
Time-resolved transcriptome analysis of Bacillus subtilis responding to valine, glutamate, and glutamine.	PloS one 20090101