6-Amino-5-iodo-2(1H)-pyrimidinone

C₄H₄IN₃OCAS 1122-44-7237.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₄H₄IN₃O
Molar mass: 237.00 g/mol
Exact mass: 236.9399 Da
logP: 0.20Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Identifiers

CAS number

1122-44-7

SMILES

N=c1[nH]c(O)ncc1I

InChIKey

UFVWJVAMULFOMC-UHFFFAOYSA-N

InChI

InChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2(1H)-Pyrimidinone, 6-amino-5-iodo-
Cytosine, 5-iodo-
2(1H)-Pyrimidinone, 4-amino-5-iodo-
5-Iodocytosine

Work with 6-Amino-5-iodo-2(1H)-pyrimidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methylcytosine554-01-863 % similar 5-Bromocytosine2240-25-758 % similar 5-Methylcytosine hydrochloride58366-64-658 % similar Flucytosine2022-85-756 % similar 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-341 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-239 % similar Cytosine71-30-738 % similar 5-Iodouracil696-07-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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