6-((3-Chloropropyl)amino)-1,3-dimethyluracil

C9H14ClN3O2CAS 34654-81-4231.68 g/mol

Open in Covalent MOL file
NNHClONO
Alkyl halideSecondary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

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

Weigh it out

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

Names and synonyms

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

Work with 6-((3-Chloropropyl)amino)-1,3-dimethyluracil

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 Urapidil hydrochloride64887-14-546 % similar 6-Amino-1,3-dimethyluracil6642-31-543 % similar Nifekalant130636-43-041 % similar Nifekalant hydrochloride130656-51-839 % similar 1-(3-Chloropropyl)theobromine74409-52-235 % similar 1,3-Dimethyluracil874-14-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook