2,4-Dichloro-7H-pyrrolo[2,3-D]pyrimidine

C₆H₃Cl₂N₃CAS 90213-66-4188.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Cl₂N₃
Molar mass: 188.01 g/mol
Exact mass: 186.9704 Da
Melting point: 247–250 °C
logP: 2.22Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

90213-66-4

SMILES

Clc1nc(Cl)c2ccnc-2[nH]1

InChIKey

GHXBPCSSQOKKGB-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H,9,10,11)

Weigh it out

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

Names and synonyms

3 names

7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-
1H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-
2,4-Dichloro-1H-pyrrolo[2,3-d]pyrimidine

Work with 2,4-Dichloro-7H-pyrrolo[2,3-D]pyrimidine

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

2,6-Dichloropurine5451-40-153 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-152 % similar 2-Chloroadenine1839-18-538 % similar 2,4-Dichloro-3-methylpyridine132097-09-734 % similar 2-Chlorobenzimidazole4857-06-134 % similar 5-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine876343-82-733 % similar 4-Chloro-5-fluoro-1H-pyrrolo[2,3-B]pyridine882033-66-133 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-932 % similar

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

Same formula

4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-8 2,4-Dichloropyrrolo[2,1-F][1,2,4]triazine918538-05-3

Elsewhere

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