4-Amino-6-chloropyrimidin-5-ol

C₄H₄ClN₃OCAS 38953-42-3145.55 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₄H₄ClN₃O
Molar mass: 145.55 g/mol
Exact mass: 145.0043 Da
logP: 0.42Crippen estimate
Polar surface area: 72.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

38953-42-3

SMILES

C1=NC(=C(C(=N1)Cl)O)N

InChIKey

PLOZXUFHBRJLFX-UHFFFAOYSA-N

InChI

InChI=1S/C4H4ClN3O/c5-3-2(9)4(6)8-1-7-3/h1,9H,(H2,6,7,8)

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Names and synonyms

1 names

5-Pyrimidinol, 4-amino-6-chloro- (9ci)

Work with 4-Amino-6-chloropyrimidin-5-ol

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

5,6-Dichloropyrimidin-4-amine310400-38-557 % similar 6-Chloro-5-methylpyrimidin-4-amine14394-56-053 % similar 4-Amino-6-chloropyrimidine-5-carbonitrile60025-09-448 % similar 5-Amino-4,6-dichloropyrimidine5413-85-448 % similar 2-Amino-3-chloropyrazine6863-73-641 % similar 4,5,6-Trichloropyrimidine1780-27-441 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-538 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-938 % similar

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

Same formula

2-Amino-6-chloro-4(1H)-pyrimidinone1194-21-4 5-Amino-4-chloro-3(2H)-pyridazinone6339-19-1

Elsewhere

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