2-Amino-4,6-dihydroxy-5-nitropyrimidine

C₄H₄N₄O₄CAS 80466-56-4172.10 g/mol

Open in Covalent MOL file

Nitro Phenol Primary amine

Properties

Molecular formula: C₄H₄N₄O₄
Molar mass: 172.10 g/mol
Exact mass: 172.0233 Da
logP: -1.03Crippen estimate
Polar surface area: 135.1 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 1

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

80466-56-4

SMILES

C1(=C(N=C(NC1=O)N)O)[N+](=O)[O-]

InChIKey

ZEBYRLPUWQNZNY-UHFFFAOYSA-N

InChI

InChI=1S/C4H4N4O4/c5-4-6-2(9)1(8(11)12)3(10)7-4/h(H4,5,6,7,9,10)

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Work with 2-Amino-4,6-dihydroxy-5-nitropyrimidine

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

2-Amino-6-chloro-5-nitro-3,4-dihydropyrimidin-4-one1007-99-464 % similar 4-Hydroxy-6-methyl-3-nitro-2-pyridone4966-90-942 % similar 6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione16632-21-642 % similar 6-Hydroxy-5-nitro-4(3H)-pyrimidinone2164-83-241 % similar 3-Nitropyridine-2,4-diol89282-12-239 % similar DNQX2379-57-937 % similar 5-Nitro-2,4(1H,3H)-pyrimidinedione611-08-533 % similar 9-Deazaguanine65996-58-933 % similar

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

Elsewhere

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