Isocytosine

CAT: 0024-sc-207766ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-207766ASize:25 g

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CAS Number

108-53-2

Chemical Information

Isocytosine

2-amino-4-hydroxypyrimidine is an aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively. It is a pyrimidine nucleobase, a pyrimidone and an aminopyrimidine.

CAS Number	108-53-2
PubChem CID	66950
IUPAC Name	2-amino-1H-pyrimidin-6-one
Molecular Formula	C4H5N3O
Molecular Weight	111.10
XLogP	-1
Topological Polar Surface Area	67.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	170

SMILES

C1=CN=C(NC1=O)N

InChI

InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)

InChIKey

XQCZBXHVTFVIFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-53-2

CID: 66950

Formula: C4H5N3O

MW: 111.10

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	111.10
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	111.043261792
Monoisotopic Mass	111.043261792
Topological Polar Surface Area	67.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-489248	Isocytidine
sc-500394	2′-Deoxy Isocytidine
sc-489249	Isocytidine Triphosphate Triethylamine Salt

Alternative Products

Catalog	Name
PDK0016	Isocytosine
I8857	Isocytosine (2-Amino-4-hydroxypyrimidine)

Isocytosine

Chemical Information

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