N4-Hydroxycytosine

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CAS Number

20555-88-8

MDL Number

MFCD06658202

Purity

97%

Smiles

O=C1NC=CC(NO)=N1

Chemical Information

N(4)-Hydroxycytosine

CAS Number	20555-88-8
PubChem CID	159892
IUPAC Name	6-(hydroxyamino)-1H-pyrimidin-2-one
Molecular Formula	C4H5N3O2
Molecular Weight	127.10
XLogP	-2.1
Topological Polar Surface Area	73.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	184

SMILES

C1=C(NC(=O)N=C1)NO

InChI

InChI=1S/C4H5N3O2/c8-4-5-2-1-3(6-4)7-9/h1-2,9H,(H2,5,6,7,8)

InChIKey

OSHIQPFXKULOPB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20555-88-8

CID: 159892

Formula: C4H5N3O2

MW: 127.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.10
XLogP3	-2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	127.038176411
Monoisotopic Mass	127.038176411
Topological Polar Surface Area	73.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	184
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

Catalog	Name
OR80399-01	N4, N4, N4', N4'-Tetraphenyl-[1,1'-biphenyl]-4,4'-diamine
OR76630-01	N4, N4, N4', N4'-Tetramethyl-[2,2'-bipyridine]-4,4'-diamine
OR1069860-01	N1, N1, N4, N4-Tetrabutylsuccinamide
OR96466	N4, N4, N4', N4'-Tetrakis (4-methoxyphenyl) -[1,1'-biphenyl]-4,4'-diamine
OR1026084-01	N4, N4, N4', N4'-Tetrakis (4-Bromophenyl) -[1,1'-Biphenyl]-4,4'-Diamine
OR1072484-01	N4, N4'-Bis (4-bromophenyl) -N4, N4'-diphenyl-[1,1'-biphenyl]-4,4'-diamine
OR1072954-01	N1, N4-Dibutyl-N1, N4-dimethylsuccinamide
OR1049731-01	N1, N4-Dibutyl-N1, N4-diethylsuccinamide
OR1047976-01	N4, N4-Dimethylpyridine-2,4-diamine
OR1074125-01	N4, N4-Dimethylpyrimidine-2,4-diamine

Catalog	Name
FH08495-01	N4-Hydroxycytosine
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sc-490656	5-Hydroxycytosine
sc-491573	5-Hydroxycytosine-13C, 15N2
CS-T-79233	5-Hydroxycytosine-13C,15N2
HY-152300-01	N4, N4-Dimethylcytidine
GTR19215114-01	N4, N4-Dimethylarabinocytidine
TRC-D456983-10MG	N4,N4-Dimethylcytidine
MBS5825987	N4,N4-Dimethylarabinocytidine
TNU1206-01	2'-Deoxy-N4, N4-dimethylcytidine