chempirical

4-Chloro-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidine

C6H6ClN3CAS 16372-08-0155.58 g/mol

Open in Covalent MOL file
HNNNCl
Aryl halideSecondary amine

Properties

Molecular formula
C6H6ClN3
Molar mass
155.58 g/mol
Exact mass
155.0250 Da
logP
1.10Crippen estimate
Polar surface area
37.8 Ų
H-bond donors / acceptors
1 / 3
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
16372-08-0
SMILES
C1CNC2=C1C(=NC=N2)Cl
InChIKey
LJXVPXRXXVHTBP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h3H,1-2H2,(H,8,9,10)

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Names and synonyms

1 names
  • 4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-D]pyrimidine

Work with 4-Chloro-6,7-dihydro-5H-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

4,5,6-Trichloropyrimidine1780-27-443 % similar (4,6-Dichloropyrimidin-5-yl)acetaldehyde16019-33-341 % similar 4,5-Dichloro-6-ethylpyrimidine115617-41-936 % similar 4-Chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one346599-63-136 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-535 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-935 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-635 % similar 5-Amino-4,6-dichloropyrimidine5413-85-435 % similar

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

Elsewhere

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