6-[(3-Chloropropyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

C₉H₁₄ClN₃O₂CAS 34654-81-4231.68 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₉H₁₄ClN₃O₂
Molar mass: 231.68 g/mol
Exact mass: 231.0775 Da
logP: 0.12Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

34654-81-4

SMILES

Cn1c(NCCCCl)cc(=O)n(C)c1=O

InChIKey

RPYBDDBZRQGARJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H14ClN3O2/c1-12-7(11-5-3-4-10)6-8(14)13(2)9(12)15/h6,11H,3-5H2,1-2H3

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Names and synonyms

1 names

2,4(1H,3H)-Pyrimidinedione, 6-[(3-chloropropyl)amino]-1,3-dimethyl-

Work with 6-[(3-Chloropropyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

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

Urapidil34661-75-148 % similar 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6972-27-646 % similar 6-Amino-1,3-dimethyluracil6642-31-543 % similar Nifekalant130636-43-041 % similar Nifekalant hydrochloride130656-51-839 % similar 1,3-Dimethyluracil874-14-633 % similar 1,3-Dimethylxanthine monohydrate5967-84-030 % similar

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

Elsewhere

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