N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide

C₅H₄Cl₂N₄OCAS 171887-03-9207.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄Cl₂N₄O
Molar mass: 207.01 g/mol
Exact mass: 205.9762 Da
logP: 1.41Crippen estimate
Polar surface area: 85.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

171887-03-9

SMILES

N=c1nc(Cl)c(N=CO)c(Cl)[nH]1

InChIKey

XYWHZUCZNRMJGO-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Cl2N4O/c6-3-2(9-1-12)4(7)11-5(8)10-3/h1H,(H,9,12)(H2,8,10,11)

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Names and synonyms

2 names

Formamide, N-(2-amino-4,6-dichloro-5-pyrimidinyl)-
N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide

Work with N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide

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-2,5-pyrimidinediamine55583-59-047 % similar 2-Amino-6-chloro-4(1H)-pyrimidinone1194-21-431 % similar 6-Chloro-1,3,5-triazine-2,4-diamine3397-62-430 % similar 2-Amino-4,6-dichloro-1,3,5-triazine933-20-030 % similar

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

Elsewhere

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