2-Chloro-5,6,7,8-tetrahydro-pyrido[3,4-D]pyrimidine

C7H8ClN3CAS 1196153-06-6169.61 g/mol

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NHNNCl
Aryl halideSecondary amine

Properties

Molecular formula
C7H8ClN3
Molar mass
169.61 g/mol
Exact mass
169.0407 Da
logP
0.78Crippen 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.

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Identifiers

CAS number
1196153-06-6
SMILES
C1CNCC2=NC(=NC=C21)Cl
InChIKey
YMJIKGJKYMEOCM-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClN3/c8-7-10-3-5-1-2-9-4-6(5)11-7/h3,9H,1-2,4H2

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Names and synonyms

1 names
  • 2-Chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

Work with 2-Chloro-5,6,7,8-tetrahydro-pyrido[3,4-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

5,6,7,8-Tetrahydro-1,7-naphthyridine hydrochloride1338707-67-741 % similar 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride766545-20-439 % similar 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine810668-57-638 % similar Tetrahydroisoquinoline91-21-435 % similar 4,5,6,7-Tetrahydro-1H-imidazo[4,5-C]pyridine6882-74-234 % similar Dichloro-s-triazine2831-66-533 % similar 8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-233 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydrazinobenzonitrile monohydrochloride2863-98-1

Elsewhere

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