2-Amino-6-chloro-4(1H)-pyrimidinone

C₄H₄ClN₃OCAS 1194-21-4145.55 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₄H₄ClN₃O
Molar mass: 145.55 g/mol
Exact mass: 145.0043 Da
Melting point: 261 °C
logP: 0.25Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Identifiers

CAS number

1194-21-4

SMILES

N=c1nc(O)cc(Cl)[nH]1

InChIKey

VBWACOJLJYUFKJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H4ClN3O/c5-2-1-3(9)8-4(6)7-2/h1H,(H3,6,7,8,9)

Weigh it out

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

Names and synonyms

14 names · show all

4(1H)-Pyrimidinone, 2-amino-6-chloro-
4-Pyrimidinol, 2-amino-6-chloro-
4(3H)-Pyrimidinone, 2-amino-6-chloro-
2-Amino-6-chloro-4-pyrimidinol
2-Amino-4-chloro-6-hydroxypyrimidine
6-Chloroisocytosine
2-Amino-4-hydroxy-6-chloropyrimidine
2-Amino-6-chloro-4-pyrimidinone
2-Amino-6-chloro-4(3H)-pyrimidinone
2-Amino-4-chloropyrimidine-6-one
NSC 35655
2-Amino-6-chloro-3H-pyrimidin-4-one
2-Amino-6-chloro-1H-pyrimidin-4-one
2-Amino-6-chloro-3,4-dihydropyrimidin-4-one

Work with 2-Amino-6-chloro-4(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

4,6-Dichloro-2-pyrimidinamine56-05-362 % similar 2-Amino-6-hydroxy-4(3H)-pyrimidinone56-09-759 % similar 2-Amino-4-hydroxy-6-methylpyrimidine3977-29-555 % similar 2,4-Diamino-6-hydroxypyrimidine56-06-455 % similar 4-Chloro-6-methoxy-2-pyrimidinamine5734-64-553 % similar Isocytosine108-53-244 % similar 2-Amino-4,6-dichloro-1,3,5-triazine933-20-041 % similar 2-Amino-4-chloro-6-methylpyrimidine5600-21-540 % similar

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

Same formula

5-Amino-4-chloro-3(2H)-pyridazinone6339-19-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook