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

C₇H₈ClN₃CAS 1196153-06-6169.61 g/mol

Open in Covalent MOL file

Aryl halide Secondary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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

Weigh it out

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

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

Tetrahydroisoquinoline91-21-435 % 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 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline14446-24-330 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-930 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-630 % 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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