4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine

C₆H₃Cl₂N₃CAS 115093-90-8188.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Cl₂N₃
Molar mass: 188.01 g/mol
Exact mass: 186.9704 Da
logP: 2.26Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

115093-90-8

SMILES

C1=C(C2=C(N1)N=CN=C2Cl)Cl

InChIKey

VFTPONHUNNOSKG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4,5-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

4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-763 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-540 % similar 4-Chloro-1H-pyrazolo[3,4-D]pyrimidine5399-92-840 % similar 3-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine1000340-39-539 % similar 4-Chloro-3-fluoro-1H-pyrrolo[2,3-B]pyridine1211582-49-839 % similar 4-Chloro-3-methyl-1H-pyrrolo[2,3-B]pyridine688782-02-739 % similar 4,5,6-Trichloropyrimidine1780-27-438 % similar 7-Bromo-4-chloro-5H-pyrrolo[3,2-D]pyrimidine1032650-41-137 % similar

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

Same formula

2,4-Dichloro-7H-pyrrolo[2,3-D]pyrimidine90213-66-4 2,4-Dichloropyrrolo[2,1-F][1,2,4]triazine918538-05-3

Elsewhere

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